(* Content-type: application/mathematica *) (*** Wolfram Notebook File ***) (* http://www.wolfram.com/nb *) (* CreatedBy='Mathematica 6.0' *) (*CacheID: 234*) (* Internal cache information: NotebookFileLineBreakTest NotebookFileLineBreakTest NotebookDataPosition[ 145, 7] NotebookDataLength[ 281598, 5796] NotebookOptionsPosition[ 273876, 5565] NotebookOutlinePosition[ 274291, 5583] CellTagsIndexPosition[ 274248, 5580] WindowFrame->Normal ContainsDynamic->False*) (* Beginning of Notebook Content *) Notebook[{ Cell[CellGroupData[{ Cell["Quantum Oscillations", "Title"], Cell["AP1603", "Subsubtitle"], Cell["\<\ Quantum mechanics describes equations of motion of atomic and subatomic \ particles. At the small size of atoms, electrons and ions behave both as \ individual particles and as waves. Like marbles and balls, we can count atoms \ and electrons one-by-one. Like waves crashing onto the beach, electrons can \ constructively and destructively interfere with each other forming \"crests \ and valleys\" or interference patterns of particle current. \ \>", "Text"], Cell[TextData[{ "Although it is not possible to learn and to ", StyleBox["understand", FontSlant->"Italic"], " quantum mechanics in a few lectures, it is very easy to ", StyleBox["experiment", FontSlant->"Italic"], " with quantum mechanics using ", StyleBox["Mathematica", FontSlant->"Italic"], ". In order to proceed, you will have to accept a few (unusual) rules about \ the quantum nature of particles. This is not surprising. We have absolutely \ no first-hand experience with atomic particles. But, if you accept these few \ rules about quantum mechanics, you can use ", StyleBox["Mathematica", FontSlant->"Italic"], " to begin a very useful study of quantum behavior brought to you by \ computer simulation." }], "Text"], Cell[TextData[{ "I have included below a short introduction to quantum mechanics adapted \ from an article written by the great Prof. Gerald Feinberg of Columbia's \ Physics Department. Following this introduction, I will review complex \ arithmetic, present the ", StyleBox["rules for the interpretation of quantum wave mechanics", FontSlant->"Italic"], ", and, finally, introduce a method for simulating quantum fluctuations with \ ", StyleBox["Mathematica", FontSlant->"Italic"], ". " }], "Text"], Cell[CellGroupData[{ Cell["A Brief Introduction to Quantum Mechanics", "Section"], Cell[TextData[{ "(Adapted from ", StyleBox["Quantum Mechanics", FontSlant->"Italic"], " by G. Feinberg.)" }], "Text"], Cell["\<\ Quantum mechanics is the fundamental theory used by 20th- century physicists \ to describe atomic and subatomic phenomena. It has been successful in tying \ together a wide range of observations into a coherent picture of the \ universe. While quantum mechanics uses some of the concepts of Newtonian mechanics, the \ previous description of physical phenomena, it differs fundamentally from the \ Newtonian description. For example, in Newtonian physics, quantities were \ believed to be continuously variable, able to take on any value in some \ range. An example is angular momentum, which, for a particle revolving in a \ circular orbit about some center of attraction, is proportional to the speed \ multiplied by the distance from the center. Because that distance could have \ any value in Newtonian mechanics, so could the angular momentum. In quantum \ mechanics, on the other hand, angular momentum is always restricted to \ certain discrete values, whose ratios are simple rational numbers. An even more fundamental difference between quantum mechanics and previous \ physical theories is that probability enters in a basic way into how quantum \ mechanics describes the world. This is made evident by the ways that quantum \ mechanics and Newtonian mechanics deal with predictions of the future. For \ something described by Newtonian mechanics, such as the motion of planets \ about our Sun, it is possible, if sufficiently accurate measurements are made \ at one time, to predict the future behavior of the system to arbitrarily \ great accuracy. For systems described by quantum mechanics, even one as \ simple as an atom with a single electron, precise prediction of future \ behavior is usually impossible. Instead, only predictions of the probability \ of various behaviors can be made. \ \>", "Text"], Cell[CellGroupData[{ Cell["Quanta", "Subsection"], Cell[TextData[{ "Quantum mechanics was developed over a period of 30 years, during which it \ was successively applied to several physical phenomena. \nThe first use of \ quantum ideas was made in the analysis of how electromagnetic radiation is \ produced. This was done by the German physicist Max Planck in 1900. Planck \ was trying to account for the distribution, among different frequencies, of \ the radiation emitted by a hot object, such as the surface of the Sun. He \ found that to obtain results in agreement with observation, he had to assume \ that the radiation was not emitted continuously, as was previously believed. \ Instead, it was emitted in discrete amounts, which he called quanta. For \ these quanta, there was always a relation between the frequency ", StyleBox["f", FontSlant->"Italic"], ", and the amount of energy emitted ", StyleBox["E", FontSlant->"Italic"], ", of the form ", StyleBox["E", FontSlant->"Italic"], " = ", StyleBox["hf", FontSlant->"Italic"], ". Here ", StyleBox["h", FontSlant->"Italic"], " is a universal constant introduced by Planck, and now named after him. \ Planck's constant has the units of energy multiplied by time, known as \ action. Its numerical value is approximately 6.63 ", Cell[BoxData[ FormBox[ SuperscriptBox["10", RowBox[{"-", "34"}]], TraditionalForm]]], " joule-seconds. The specific result of Planck's analysis was a formula \ expressing the amount of energy radiated at any frequency as a function of \ the temperature of the emitting object. This relation, the blackbody \ distribution, agrees accurately with observation." }], "Text"], Cell["\<\ The development of actual quantum mechanics--the mathematical theory--took \ place in the years 1924-27. Initially there were two seemingly different \ approaches: matrix mechanics, invented by Werner Heisenberg, and wave \ mechanics, invented by Erwin Schrodinger. However, it was soon shown that \ these were distinct aspects of a single theory, which came to be known as \ quantum mechanics. This unified version was invented by Paul Dirac. In matrix \ mechanics, physical quantities such as the position of a particle, are \ represented not by numbers, but by mathematical quantities known as matrices. \ Matrix mechanics is most useful in dealing with situations in which there is \ a small number of relevant energy levels, such as a particle with definite \ angular momentum in a magnetic field.\ \>", "Text"], Cell[CellGroupData[{ Cell["Max Planck", "Subsubsection", TextAlignment->Left], Cell[GraphicsData["CompressedBitmap", "\<\ eJzUvee3bUlV/r96hxNu7tvdF7qb0HD23rdBMSuiYAJzVhSzooKYI5gD5oAZ MIAZMWBWTENxqEMZQ4fhjcN/5fvu/Nanqp5ZT9Va+4TbDcPfi3vPDmuvUPXM OZ8ZatYnv/xbXvWKr335t3zll738sY/9ppd/w6u+8su++bGP+fpvGj9a3jcM w/8bhvte9NjA69Pxbflvebrb7Yb16Xa7Pd1sNvFvfD8synflPe9On/WsZ52e nJwM+XcH6btnP/vZfBbHjH/zT49PH3vssfSV/nH43bt300/qZTjhKm6hHLfK 5xlfjefhN48//rjfXhxbXpfzrCe3w3eH6UoPpvPwOcfwl3NyDO/LselzjvP3 5bHSeXX+8buDdMmDdLguyevys3z3y/h1vktGZtVccXy94IA0nBoOPXL5cR7w B+PuuRxf6dK8fs5znnP6QR/0Qaef+7mfe/olX/Ilp5/zOZ9z+lmf9VmnP/qj 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Apr. 23, 1858, d. Oct. \ 3, 1947, developed the concept of the quantum, or fundamental increment of \ energy--basic to quantum mechanics, and a cornerstone of modern physics. \ After receiving his Ph.D. from the University of Munich in 1879, Planck \ taught at the University of Kiel (1885-89) and the University of Berlin \ (1889-1926). His appointment at the latter institution included the \ directorship of the Institute of Theoretical Physics that was newly founded \ for him. Planck began studying blackbody radiation in 1897 and discovered that at long \ wavelengths it did not obey the distribution laws given by Wilhelm Wien. This \ discovery led him to announce (1900) his revolutionary idea that an \ oscillator could emit energy only in discrete quanta, contrary to classical \ physical theory. The quantum theory--which gained Planck the Nobel Prize for \ physics in 1918--was used by Albert Einstein to explain (1905) the \ photoelectric effect and by Niels Bohr to propose (1913) a model of the atom \ with quantized electronic states; the theory was later developed into quantum \ mechanics. Planck mastered every aspect of physics from thermodynamics and \ electrodynamics to relativity and also wrote extensively on the philosophy of \ science.\ \>", "Text"] }, Closed]] }, Closed]], Cell[CellGroupData[{ Cell["The Wave Function", "Subsection"], Cell[TextData[{ "Wave mechanics is more useful than matrix mechanics in a situation where \ the number of energy levels is infinite, as with an electron in an atom. It \ is based on the idea originally suggested by Louis de Broglie, that particles \ such as electrons have waves associated with them. The wavelength, \[Gamma], \ of the wave is related to the mass, ", StyleBox["m", FontSlant->"Italic"], ", and speed, ", StyleBox["v", FontSlant->"Italic"], ", of the particle by the relation \[Gamma] = ", StyleBox["h/mv", FontSlant->"Italic"], ". This implies that for electrons moving at 10 percent the speed of light, \ such as those produced by some television tubes, the wavelengths are about ", Cell[BoxData[ FormBox[ SuperscriptBox["10", RowBox[{"-", "10"}]], TraditionalForm]]], " meters, or about the distance between atoms in a crystalline solid. This \ prediction of deBroglie was verified by Clinton Davisson and by George \ Thomson, who were able to pass the electron waves through metallic crystals, \ and so produce diffraction patterns similar to those produced by X rays." }], "Text"], Cell["\<\ In 1925, Erwin Schrodinger developed an equation, now bearing his name, which \ describes how a wave associated with an electron or other subatomic particle \ varies in space and time as the particle moves under the influence of various \ forces. This equation has many types of solutions, and Schrodinger imposed \ the condition that for a particle bound in an atom, the solution should be \ mathematically well defined everywhere. When applied to the case of an \ electron in a hydrogen atom, Schrodinger's equation immediately gave the \ correct energy levels previously calculated by Bohr. However, the equation \ could also be applied to more complicated atoms, and even to particles not \ bound in atoms at all. It was soon found that in every case, Schrodinger's \ equation gave a correct description of a particle's behavior, provided that \ the particle was not moving at a speed near that of light. In spite of this success, Schrodinger initially misunderstood the meaning of \ the quantum wave function and believed that the intensity of the wave at a \ point in space represented the \"amount\" of the electron that was present at \ that point. That is, the electron was spread out, not concentrated at a \ point. However, this interpretation was wrong, because even if a particle was \ originally concentrated on a small region, in most cases it would soon spread \ over an increasingly larger region, in contradiction to what was the observed \ behavior of particles.\ \>", "Text"], Cell["\<\ The correct interpretation of the waves was proposed by Max Born. While \ studying how quantum mechanics describes collisions between particles, he \ realized that the intensity of the deBroglie-Schrodinger wave was a measure \ of the probability of finding the particle at each point in space. In other \ words, a measurement would always find a whole particle, rather than a \ fraction of one, but in regions where the wave intensity was low, the \ particle would rarely be found, whereas in regions of high intensity, the \ particle would often be found.\ \>", "Text"], Cell[CellGroupData[{ Cell["Erwin Schrodinger", "Subsubsection"], Cell[GraphicsData["CompressedBitmap", "\<\ eJysnQe4ZFlVtk9X1Y2dprunJ8IE0CE6iqgYMWPEHDCLiIo5YA5gBrMiKGJO YAazGAEDKohiwIAJUcGEOWv9+11rv/usU7dnFH/6eW5X1alTJ+yzvv2tvB/8 0Ed+yMM/4qGPfMTDHnrLW3zsQz/6Qx7xsI+75UEf9bFt0/rUNE1/Mk2nHnDL xPtt+9j/+5PtqVNty2p7+vTp6dL2zJkz27Nnz27Pnz8ff8fHx9vDw8Pt0dFR vG97xT68so337sOr3128eHFac4TpID5fddVV2wsXLsQf7zn2uXPnpn22tD0v Xbq0vfrqq/nLT9Pl+HzNNdfEd/yuHXN7+fLl7bXXXhvf8ZnjcDzes62fm2PH du6F3/K5ve/XtI7Pnm/FntPp2Mbx+D2/8dicn++4Fu6ZK17FHb7HuLbrr78+ ru3VX/3Vt+///u+//czP/MztE57whO0v/MIvbP/1X/91+8d//Mfb7/iO79h+ 3ud93vZTP/VTt9/wDd+w/cmf/Mnt4x73uO3HfdzHbT/iIz5i+zEf8zHb7/me 79k+61nP2n7u537u9lGPelTs/7M/+7Pbv/zLv9z+0z/90/Yf//Eft//yL/+y 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Aug. 12, 1887, d. \ Jan. 4, 1961, published (1926) four papers that laid the foundation of the \ wave-mechanics approach to quantum theory and set forth his now-famous wave \ equation. Schrodinger earned a doctorate at the University of Vienna in 1910. \ He succeeded (1927) Max Planck in the chair of theoretical physics at the \ University of Berlin but left Germany in 1933 because of Nazi threats--the \ same year he shared the Nobel Prize for physics with Paul Dirac for his \ contributions to atomic theory. In 1939 he joined the newly formed Institute \ for Advanced Studies in Dublin. There he continued his studies of the \ application and statistical interpretation of wave mechanics, the \ mathematical character of the new statistics, and the relationship of these \ statistics to statistical thermodynamics.\ \>", "Text", TextAlignment->Left] }, Closed]] }, Closed]] }, Closed]], Cell[CellGroupData[{ Cell["The Schrodinger Equation", "Section"], Cell[TextData[{ "For our ", StyleBox["Mathematica", FontSlant->"Italic"], " simulations, we will use the symbol, \[Psi], to represent Edwin \ Schrodinger's wave function. \[Psi](", StyleBox["x", FontSlant->"Italic"], ", ", StyleBox["t", FontSlant->"Italic"], ") is a complex function of space and time. Since \[Psi] is complex, it's \ value at any point has both real and imaginary parts. We will solve \ Schrodinger's equation to see how the complex function \[Psi](", StyleBox["x", FontSlant->"Italic"], ", ", StyleBox["t", FontSlant->"Italic"], ") changes in time and space.\nThe interpretation of the wave function is \ what gives \[Psi] its usefulness. As Schrodinger wrote it, \[Psi] is a \ function of space, or ", StyleBox["x", FontSlant->"Italic"], ". In this coordinate system, the product of \[Psi] with its complex \ conjugate is proportional to a particle's ", StyleBox["probability distribution function ", FontSlant->"Italic"], "at the location ", StyleBox["x. ", FontSlant->"Italic"], "This probability must be normalized such that if we sum the probabilities \ at all possible locations, this sum must equal to 1, or 100%." }], "Text"], Cell[CellGroupData[{ Cell["Momentum and Energy Representations", "Subsubsection"], Cell[TextData[{ "In order to determine the probability distribution functions for momentum \ or energy, we need to transform \[Psi] into a different coordinate system \ (sometimes called a different \"representation\"). For momentum, the \ appropriate coordinate system is the wavenumber of the spatial oscillations \ of the \[Psi] (", StyleBox["i.e. ", FontSlant->"Italic"], "the inverse of the wavelength). The shorter the wavelength of the \ oscillations of \[Psi], the higher is the particle's momentum. For energy, \ the appropriate coordinate system (or \"representation\") is the frequency of \ the temporal oscillations. The more quickly \[Psi] oscillates in time, the \ higher the energy of the particle. These transformations can be performed by \ Fourier (or Laplace) transforms. If we were to Fourier transform the spatial \ coordinate of \[Psi](", StyleBox["x", FontSlant->"Italic"], "), the result would be a new complex wave function, \[Psi](", StyleBox["k", FontSlant->"Italic"], "), where ", StyleBox["k", FontSlant->"Italic"], " = 2\[Pi]/\[Lambda]. The probability of finding a particle of a particular \ momentum, ", StyleBox["p", FontSlant->"Italic"], " = \[HBar]", StyleBox["k", FontSlant->"Italic"], ", is Conjugate[\[Psi](", StyleBox["k", FontSlant->"Italic"], ")] \[Cross] \[Psi](", StyleBox["k", FontSlant->"Italic"], "). (\[HBar] = ", StyleBox["h", FontSlant->"Italic"], "/2\[Pi].) If we were to Fourier transform the time variation of \[Psi](", StyleBox["t", FontSlant->"Italic"], "), the result would be a new complex wavefunction, \[Psi](\[Omega]). The \ probability of measuring a particle at a particular energy, ", StyleBox["e", FontSlant->"Italic"], " = \[HBar]\[Omega], is proportional to Conjugate[\[Psi](\[Omega])] \[Cross] \ \[Psi](\[Omega])." }], "Text"], Cell[TextData[{ "We can summarize the rules used to interpret Schrodinger's wavefunction:\n\ 1. The wavefunction, \[Psi](", StyleBox["x", FontSlant->"Italic"], ",", StyleBox[", t", FontSlant->"Italic"], "), is a complex function which can be used to calculate the probability of \ the measurements of particles. \n2. The probability of finding a particle at \ a location, ", StyleBox["x", FontSlant->"Italic"], ", at the instant of time, ", StyleBox["t", FontSlant->"Italic"], ", is proportional to ", Cell[BoxData[ FormBox[ RowBox[{ SuperscriptBox[ RowBox[{"Abs", "[", "\[Psi]", "]"}], "2"], " ", "=", " ", RowBox[{ RowBox[{"Conjugate", "[", RowBox[{"\[Psi]", "(", "x", ")"}], "]"}], " ", "\[Cross]", " ", RowBox[{"\[Psi]", "(", "x", ")"}]}]}], TraditionalForm]]], ".\n3. The probability of finding a particle having a particular momentum at \ an instant of time, ", StyleBox["t", FontSlant->"Italic"], ", is proportional to the square of the spatial Fourier transform of \[Psi]. \ We write this probability as ", Cell[BoxData[ FormBox[ SuperscriptBox[ RowBox[{"Abs", "[", " ", RowBox[{"\[Psi]", "(", RowBox[{"k", ",", " ", "t"}], ")"}], "]"}], "2"], TraditionalForm]]], "= Conjugate[\[Psi](", StyleBox["k", FontSlant->"Italic"], ")] \[Cross] \[Psi](", StyleBox["k", FontSlant->"Italic"], ").\n4. The probability of measuring a particle having a particular energy \ at a particular location, ", StyleBox["x", FontSlant->"Italic"], ", is proportional to the square of the temporal Fourier transform of \ \[Psi]. We write this probability as ", Cell[BoxData[ FormBox[ SuperscriptBox[ RowBox[{"Abs", "[", " ", RowBox[{"\[Psi]", "(", RowBox[{"x", ",", " ", "\[Omega]"}], ")"}], "]"}], "2"], TraditionalForm]]], "= Conjugate[\[Psi](\[Omega])] \[Cross] \[Psi](\[Omega]). " }], "Text"] }, Closed]] }, Closed]], Cell[CellGroupData[{ Cell["A very small ball in a quantum box", "Section"], Cell[TextData[{ "For simplicity, we will consider only a particle of mass, ", StyleBox["m", FontSlant->"Italic"], ", constrained to move only in one dimension, ", StyleBox["x", FontSlant->"Italic"], ", and contained within a box of length, ", StyleBox["l", FontSlant->"Italic"], ". 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However, if \ the box were the size of an atom and if the ball were an electron, then \ quantum mechanics would be ", StyleBox["required", FontSlant->"Italic"], " to describe its motion. \nIn the following, we will learn (1) how to \ compute the probabilities for measurements of the particle's position, ", StyleBox["x", FontSlant->"Italic"], ", momentum, ", StyleBox["p", FontSlant->"Italic"], ", and total energy, ", StyleBox["e, ", FontSlant->"Italic"], "and (2) how to compute the evolution of these probabilities in time." }], "Text"], Cell[CellGroupData[{ Cell["Schrodinger's equation on a grid", "Subsection"], Cell[TextData[{ "In general, the simulation of quantum behavior on a computer is difficult. \ Nevertheless, the same techniques developed for simulations of the \ oscillations of a string can be used for a quantum ball in a box.\nOur first \ step is to define a grid on which to represent the wavefunction, \[Psi]. For \ real particles, the coordinate system used to represent quantum oscillations \ is continuous. (The same can be said for oscillations on a string.) However, \ we can represent quantum oscillations ", StyleBox["approximately", FontSlant->"Italic"], " whenever the wavelength of the oscillations is long compared to the \ spacing between grid points." }], "Text"], Cell[TextData[{ "If \[Psi](", StyleBox["x", FontSlant->"Italic"], ", ", StyleBox["t", FontSlant->"Italic"], ") were a function of continuous variables ", StyleBox["x", FontSlant->"Italic"], " and ", StyleBox["t ", FontSlant->"Italic"], "(", StyleBox["i.e.", FontSlant->"Italic"], " the usual case), then Schrodinger's equation would be \n\tI \[HBar] ", Cell[BoxData[ FormBox[ RowBox[{ SubscriptBox["\[PartialD]", "t"], " ", "\[Psi]"}], TraditionalForm]]], " = - (", Cell[BoxData[ FormBox[ SuperscriptBox["\[HBar]", "2"], TraditionalForm]]], "/2", StyleBox["m", FontSlant->"Italic"], ") ", Cell[BoxData[ FormBox[ RowBox[{ SubscriptBox["\[PartialD]", "x"], " ", RowBox[{ SubscriptBox["\[PartialD]", "x"], " ", "\[Psi]"}]}], TraditionalForm]]], " + ", StyleBox["V", FontSlant->"Italic"], "(", StyleBox["x", FontSlant->"Italic"], ") \[Psi]\nIn this equation, ", StyleBox["V", FontSlant->"Italic"], "(", StyleBox["x", FontSlant->"Italic"], ") is the potential energy of the quantum ball at ", StyleBox["x", FontSlant->"Italic"], ".\nWhat does this equation mean? \nSchrodinger's equation defines the \ relationship between the spatial and temporal oscillations of the \ wavefunction. Recall our quantum rules: the spatial wavelength is inversely \ proportional to the momentum and the temporal frequency is proportional to \ the energy. If we were to substitute for the wavefunction, \n\t\[Psi](", StyleBox["x", FontSlant->"Italic"], ", ", StyleBox["t", FontSlant->"Italic"], ") \[Proportional] Exp[- I \[Omega] ", StyleBox["t", FontSlant->"Italic"], "] Exp[ I ", StyleBox["k x", FontSlant->"Italic"], "],\nthen Schrodinger's equation can be rewritten as\n\t\[HBar]\[Omega] = ", Cell[BoxData[ FormBox[ SuperscriptBox[ RowBox[{"(", StyleBox[ RowBox[{"\[HBar]", StyleBox["k", FontSlant->"Italic"]}]], ")"}], "2"], TraditionalForm]]], "/2", StyleBox["m", FontSlant->"Italic"], " + ", StyleBox["V", FontSlant->"Italic"], "\nThis is a statement which defines the total energy, ", StyleBox["e", FontSlant->"Italic"], " = \[HBar]\[Omega], in terms of the momentum, ", StyleBox["p", FontSlant->"Italic"], " = \[HBar]", StyleBox["k", FontSlant->"Italic"], ", and the potential energy, ", StyleBox["V", FontSlant->"Italic"], "." }], "Text"], Cell[TextData[{ "Schrodinger's equation on a grid requires that we replace the spatial \ derivatives, ", Cell[BoxData[ FormBox[ RowBox[{ SubscriptBox["\[PartialD]", "x"], " ", RowBox[{ SubscriptBox["\[PartialD]", "x"], " ", "\[Psi]"}]}], TraditionalForm]]], ", with ", StyleBox["differences", FontSlant->"Italic"], " of \[Psi] evaluated on neighboring grid points. This creates an equation \ having the same form as the equation for the acceleration of balls on a \ string. The equations for the wavefunction at the ", StyleBox["i", FontSlant->"Italic"], "th grid points are:\n\tI \[HBar] ", Cell[BoxData[ FormBox[ RowBox[{ FormBox[ RowBox[{ SubscriptBox["\[PartialD]", "t"], " ", RowBox[{ RowBox[{"\[Psi]", StyleBox["[", FontSlant->"Plain"], "1", "]"}], "[", "t", "]"}]}], TraditionalForm], " ", "=", " ", RowBox[{ RowBox[{ RowBox[{"-", " ", RowBox[{"(", RowBox[{ RowBox[{ SuperscriptBox["\[HBar]", "2"], "/", "2"}], StyleBox["m", FontSlant->"Italic"]}], ")"}]}], " ", RowBox[{"(", RowBox[{ RowBox[{ RowBox[{"-", " ", "2"}], StyleBox[" ", FontSlant->"Italic"], RowBox[{ RowBox[{"\[Psi]", "[", "1", "]"}], "[", "t", "]"}]}], " ", "+", " ", RowBox[{ RowBox[{"\[Psi]", "[", "2", "]"}], "[", "t", "]"}]}], ")"}]}], " ", "+", " ", RowBox[{ RowBox[{"V", "[", "2", "]"}], " ", RowBox[{ RowBox[{"\[Psi]", "[", "2", "]"}], "[", "t", "]"}]}]}]}], TextForm]]], "\n\t", Cell[BoxData[ FormBox[ RowBox[{ RowBox[{"I", " ", "\[HBar]", " ", FormBox[ RowBox[{ SubscriptBox["\[PartialD]", "t"], " ", RowBox[{ RowBox[{"\[Psi]", StyleBox["[", FontSlant->"Plain"], "i", "]"}], "[", "t", "]"}]}], TraditionalForm]}], " ", "=", " ", RowBox[{ RowBox[{ RowBox[{"-", " ", RowBox[{"(", RowBox[{ RowBox[{ SuperscriptBox["\[HBar]", "2"], "/", "2"}], StyleBox["m", FontSlant->"Italic"]}], ")"}]}], " ", RowBox[{"(", " ", RowBox[{ RowBox[{ RowBox[{"\[Psi]", "[", RowBox[{"i", "-", "1"}], "]"}], "[", "t", "]"}], " ", "-", " ", RowBox[{"2", " ", RowBox[{ RowBox[{"\[Psi]", "[", "i", "]"}], "[", "t", "]"}]}], " ", "+", " ", RowBox[{ RowBox[{"\[Psi]", "[", RowBox[{"i", "+", "1"}], "]"}], "[", "t", "]"}]}], ")"}]}], " ", "+", RowBox[{ RowBox[{"V", "[", "i", "]"}], " ", RowBox[{ RowBox[{"\[Psi]", "[", "i", "]"}], "[", "t", "]"}]}]}]}], TextForm]]], "\n\tI \[HBar] ", Cell[BoxData[ FormBox[ RowBox[{ FormBox[ RowBox[{ SubscriptBox["\[PartialD]", "t"], " ", RowBox[{ RowBox[{"\[Psi]", "[", "N", "]"}], "[", "t", "]"}]}], TraditionalForm], " ", "=", " ", RowBox[{ RowBox[{ RowBox[{"-", " ", RowBox[{"(", RowBox[{ RowBox[{ SuperscriptBox["\[HBar]", "2"], "/", "2"}], StyleBox["m", FontSlant->"Italic"]}], ")"}]}], " ", RowBox[{"(", " ", RowBox[{ RowBox[{ RowBox[{"\[Psi]", "[", RowBox[{"N", "-", "1"}], "]"}], "[", "t", "]"}], " ", "-", " ", RowBox[{"2", " ", RowBox[{ RowBox[{"\[Psi]", "[", "N", "]"}], "[", "t", "]"}]}]}], " ", ")"}]}], " ", "+", " ", RowBox[{ RowBox[{"V", "[", "N", "]"}], " ", RowBox[{ RowBox[{"\[Psi]", "[", "N", "]"}], "[", "t", "]"}]}]}]}], TextForm]]], "\nNotice the equations at the two ends of the grid, ", StyleBox["i", FontSlant->"Italic"], " = 1 and ", StyleBox["i", FontSlant->"Italic"], " = ", StyleBox["N, ", FontSlant->"Italic"], "differ from the equations for quantum oscillations away from the ends.\n\ Compare these equations to those we used to simulate oscillations on a \ string. There are two significant differences and several similarities. The \ differences are: (1) the quantum wave function is complex, and (2) the \ quantum equations are first order in time (whereas the equations for a string \ are second-order)." }], "Text"] }, Closed]] }, Closed]], Cell[CellGroupData[{ Cell["Finite Difference Approximations", "Section"], Cell[TextData[{ "For this topic, we will not use ", StyleBox["NDSolve[...]", FontWeight->"Bold"], ". Instead, we will integrate the wave-dynamics using various approximations \ to the time derivative, ", Cell[BoxData[ FormBox[ RowBox[{ SubscriptBox["\[PartialD]", "t"], " ", "\[Psi]"}], TraditionalForm]]], ". We will examine three methods. For simplicity, we will assign \[HBar] \ \[Rule] 1 and ", StyleBox["m", FontSlant->"Italic"], " \[Rule] 1, and we will also set our length and time scales such that \ \[Delta]t = \[Delta]x = 1. " }], "Text"], Cell[CellGroupData[{ Cell["Explicit", "Subsubsection"], Cell[TextData[{ "The most straight-forward finite-difference approximation to Schrodinger's \ equation \n\tI ", Cell[BoxData[ FormBox[ RowBox[{ SubscriptBox["\[PartialD]", "t"], " ", "\[Psi]"}], TraditionalForm]]], " = - ", Cell[BoxData[ FormBox[ RowBox[{ SubscriptBox["\[PartialD]", "x"], " ", RowBox[{ SubscriptBox["\[PartialD]", "x"], " ", "\[Psi]"}]}], TraditionalForm]]], " + ", StyleBox["V", FontSlant->"Italic"], "(", StyleBox["x", FontSlant->"Italic"], ") \[Psi]\nis\n\tI (\[Psi](", StyleBox["t + 1", FontColor->RGBColor[1, 0, 1]], ", x) - \[Psi](t, x)) \[TildeTilde] - (\[Psi](t, x-1) - 2 \[Psi](t, x) + \ \[Psi](t, x+1)) + V(x) \[Psi](t, x)\nWe can find \[Psi](", StyleBox["t+1", FontColor->RGBColor[1, 0, 1]], ", x) from \[Psi](t, x):\n\t\[Psi](", StyleBox["t + 1", FontColor->RGBColor[1, 0, 1]], ", x) \[TildeTilde] \[Psi](t, x) + I (\[Psi](t, x-1) - 2 \[Psi](t, x) + \ \[Psi](t, x+1)) - I V(x) \[Psi](t, x)" }], "Text"] }, Closed]], Cell[CellGroupData[{ Cell["Implicit", "Subsubsection"], Cell[TextData[{ "If the right-hand-side were evaluated at the advanced time, then \ Schrodinger's equation would be approximately:\n\tI (\[Psi](", StyleBox["t + 1", FontColor->RGBColor[1, 0, 1]], ", x) - \[Psi](t, x)) \[TildeTilde] - (\[Psi](", StyleBox["t+1", FontColor->RGBColor[1, 0, 1]], ", x-1) - 2 \[Psi](", StyleBox["t+1", FontColor->RGBColor[1, 0, 1]], ", x) + \[Psi](", StyleBox["t+1", FontColor->RGBColor[1, 0, 1]], ", x+1)) + V(x) \[Psi](", StyleBox["t+1", FontColor->RGBColor[1, 0, 1]], ", x)\nWe must invert a matrix to find \[Psi](t+1, x) from \[Psi](t, x):\n\t\ \[Psi](", StyleBox["t + 1", FontColor->RGBColor[1, 0, 1]], ", x) - I (\[Psi](", StyleBox["t+1", FontColor->RGBColor[1, 0, 1]], ", x-1) - 2 \[Psi](", StyleBox["t+1", FontColor->RGBColor[1, 0, 1]], ", x) + \[Psi](", StyleBox["t+1", FontColor->RGBColor[1, 0, 1]], ", x+1)) + I V(x) \[Psi](", StyleBox["t+1", FontColor->RGBColor[1, 0, 1]], ", x) \[TildeTilde] \[Psi](t, x)" }], "Text"] }, Closed]], Cell[CellGroupData[{ Cell["Centrally-Balanced (or Crank-Nicolson)", "Subsubsection"], Cell[TextData[{ "Finally, we can take the average of both times to find the right-hand-side:\ \n\tI (\[Psi](", StyleBox["t + 1", FontColor->RGBColor[1, 0, 1]], ", x) - \[Psi](t, x)) \[TildeTilde] [- ", Cell[BoxData[ FormBox[ RowBox[{ SubscriptBox["\[PartialD]", "x"], " ", SubscriptBox["\[PartialD]", "x"]}], TraditionalForm]]], " + ", StyleBox["V", FontSlant->"Italic"], "(", StyleBox["x", FontSlant->"Italic"], ")] ", Cell[BoxData[ FormBox[ FractionBox["1", "2"], TraditionalForm]]], "(\[Psi](", StyleBox["t+1", FontColor->RGBColor[1, 0, 1]], ", x) + \[Psi](t, x))\nArranging terms, we find an approximate relationship:\ \n\t\[Psi](", StyleBox["t + 1", FontColor->RGBColor[1, 0, 1]], ", x) - I (\[Psi](", StyleBox["t+1", FontColor->RGBColor[1, 0, 1]], ", x-1) - 2 \[Psi](", StyleBox["t+1", FontColor->RGBColor[1, 0, 1]], ", x) + \[Psi](", StyleBox["t+1", FontColor->RGBColor[1, 0, 1]], ", x+1))/2 + I V(x) \[Psi](", StyleBox["t+1", FontColor->RGBColor[1, 0, 1]], ", x)/2 \[TildeTilde] \n\t\t\[Psi](t, x) + I (\[Psi](t, x-1) - 2 \[Psi](t, \ x) + \[Psi](t, x+1))/2 - I V(x) \[Psi](t, x)/2" }], "Text"], Cell[TextData[{ "We will find that only the last method will be satisfactory. The explicit \ method is ", StyleBox["unstable", FontSlant->"Italic"], ". The implicit method is ", StyleBox["inaccurate", FontSlant->"Italic"], ". And, the Crank-Nicolson method is both numerically efficient and \ accurate." }], "Text"] }, Closed]] }, Closed]], Cell[CellGroupData[{ Cell["Initial Condition", "Section"], Cell[BoxData[ RowBox[{ RowBox[{"Off", "[", RowBox[{"General", "::", "\"\\""}], "]"}], ";"}]], "Input", CellLabel->"In[1]:="], Cell["\<\ We choose an initial condition with a Gaussian spatial extent and a complex \ variation corresponding to a traveling momentum.\ \>", "Text"], Cell[BoxData[ RowBox[{ RowBox[{ RowBox[{ RowBox[{"form", "[", RowBox[{"k_", ",", "x0_", ",", "s_"}], "]"}], "[", "x_", "]"}], " ", ":=", " ", RowBox[{ RowBox[{"Exp", "[", RowBox[{"I", " ", "k", " ", "x"}], "]"}], " ", RowBox[{"Exp", "[", RowBox[{"-", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"(", RowBox[{"x", "-", "x0"}], ")"}], "/", RowBox[{"(", RowBox[{"2", " ", "s"}], ")"}]}], ")"}], "^", "2"}]}], "]"}]}]}], ";"}]], "Input", CellLabel->"In[2]:="], Cell["The integral of the norm must be normalized to unity.", "Text"], Cell[BoxData[ RowBox[{ RowBox[{"myConjugate", "[", "x_", "]"}], " ", ":=", " ", RowBox[{"x", " ", "/.", " ", RowBox[{ RowBox[{"Complex", "[", RowBox[{"re_", ",", "im_"}], "]"}], " ", "\[Rule]", " ", RowBox[{"Complex", "[", RowBox[{"re", ",", RowBox[{"-", "im"}]}], "]"}]}]}]}]], "Input", CellLabel->"In[3]:="], Cell[BoxData[ RowBox[{"myConjugate", "[", RowBox[{ RowBox[{"form", "[", RowBox[{"k", ",", "x0", ",", "s0"}], "]"}], "[", "x", "]"}], "]"}]], "Input", CellLabel->"In[4]:="], Cell[BoxData[ RowBox[{"Integrate", "[", RowBox[{ RowBox[{ RowBox[{ RowBox[{"form", "[", RowBox[{"k", ",", "x0", ",", "s0"}], "]"}], "[", "x", "]"}], " ", RowBox[{"myConjugate", "[", RowBox[{ RowBox[{"form", "[", RowBox[{"k", ",", "x0", ",", "s0"}], "]"}], "[", "x", "]"}], "]"}]}], ",", " ", RowBox[{"{", RowBox[{"x", ",", " ", RowBox[{"-", "Infinity"}], ",", " ", "Infinity"}], "}"}]}], "]"}]], "Input", CellLabel->"In[5]:="], Cell[BoxData[ RowBox[{ RowBox[{ RowBox[{ RowBox[{"initial", "[", RowBox[{"k_", ",", "x0_", ",", "s_"}], "]"}], "[", "x_", "]"}], " ", ":=", " ", RowBox[{ RowBox[{"Exp", "[", RowBox[{"I", " ", "k", " ", "x"}], "]"}], " ", RowBox[{ RowBox[{"Exp", "[", RowBox[{"-", RowBox[{ RowBox[{"(", RowBox[{ RowBox[{"(", RowBox[{"x", "-", "x0"}], ")"}], "/", RowBox[{"(", RowBox[{"2", " ", "s"}], ")"}]}], ")"}], "^", "2"}]}], "]"}], "/", RowBox[{"Sqrt", "[", " ", RowBox[{"Sqrt", "[", RowBox[{"2", " ", "\[Pi]", " ", RowBox[{"s", "^", "2"}]}], "]"}], "]"}]}]}]}], ";"}]], "Input", CellLabel->"In[6]:="], Cell[TextData[{ StyleBox["Notice", FontSlant->"Italic"], ": In our units, the spatial grid size are integers. " }], "Text"], Cell[BoxData[{ RowBox[{ RowBox[{"\[Psi]0", "=", RowBox[{"Table", "[", RowBox[{ RowBox[{ RowBox[{"initial", "[", RowBox[{"0.6", ",", "0.0", ",", "8.0"}], "]"}], "[", "x", "]"}], ",", RowBox[{"{", RowBox[{"x", ",", RowBox[{"-", "50"}], ",", "50"}], "}"}]}], "]"}]}], ";"}], "\n", RowBox[{"ListPlot", "[", RowBox[{ RowBox[{"Abs", "[", "\[Psi]0", "]"}], ",", RowBox[{"PlotRange", "\[Rule]", "All"}]}], "]"}]}], "Input", CellChangeTimes->{{3.4488991746147127`*^9, 3.448899181587652*^9}}, CellLabel->"In[7]:="], Cell["\<\ We need to check that the initial condition integrates to a unity norm (or \ 100% probability of being located within the \"box\"):\ \>", "Text"], Cell[BoxData[ RowBox[{"Plus", " ", "@@", " ", RowBox[{"(", RowBox[{"\[Psi]0", " ", RowBox[{"Conjugate", "[", "\[Psi]0", "]"}]}], ")"}]}]], "Input", CellLabel->"In[9]:="], Cell[CellGroupData[{ Cell["Plotting the WaveFunction", "Subsubsection"], Cell[BoxData[{ RowBox[{ RowBox[{"p0", "=", "0.6"}], ";"}], "\n", RowBox[{ RowBox[{"x0", "=", "0.0"}], ";"}], "\n", RowBox[{ RowBox[{"s0", "=", "8.0"}], ";"}], "\n", RowBox[{ RowBox[{"pC", "=", RowBox[{"Plot", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"Re", "[", RowBox[{ RowBox[{"initial", "[", RowBox[{"p0", ",", "x0", ",", "s0"}], "]"}], "[", "x", "]"}], "]"}], ",", RowBox[{"Im", "[", RowBox[{ RowBox[{"initial", "[", RowBox[{"p0", ",", "x0", ",", "s0"}], "]"}], "[", "x", "]"}], "]"}]}], "}"}], ",", RowBox[{"{", RowBox[{"x", ",", RowBox[{"-", "50"}], ",", "50"}], "}"}], ",", RowBox[{"PlotStyle", "\[Rule]", RowBox[{"{", RowBox[{ RowBox[{"{", RowBox[{"RGBColor", "[", RowBox[{"0", ",", "0", ",", "1"}], "]"}], "}"}], ",", RowBox[{"{", RowBox[{"RGBColor", "[", RowBox[{"1", ",", "0", ",", "0"}], "]"}], "}"}]}], "}"}]}], ",", RowBox[{"DisplayFunction", "\[Rule]", "Identity"}]}], "]"}]}], ";"}], "\n", RowBox[{ RowBox[{"pA", "=", RowBox[{"Plot", "[", RowBox[{ RowBox[{"{", RowBox[{ RowBox[{"Abs", "[", RowBox[{ RowBox[{"initial", "[", RowBox[{"p0", ",", "x0", ",", "s0"}], "]"}], "[", "x", "]"}], "]"}], ",", RowBox[{"-", RowBox[{"Abs", "[", RowBox[{ RowBox[{"initial", "[", RowBox[{"p0", ",", "x0", ",", "s0"}], "]"}], "[", "x", "]"}], "]"}]}]}], "}"}], ",", RowBox[{"{", RowBox[{"x", ",", RowBox[{"-", "50"}], ",", "50"}], "}"}], ",", RowBox[{"DisplayFunction", "\[Rule]", "Identity"}]}], "]"}]}], ";"}], "\n", RowBox[{"Show", "[", RowBox[{"pA", ",", "pC", ",", RowBox[{"DisplayFunction", "\[Rule]", "$DisplayFunction"}], ",", RowBox[{"PlotLabel", "\[Rule]", "\"\\""}]}], "]"}]}], "Input", CellChangeTimes->{{3.448899189768668*^9, 3.448899194078948*^9}}, CellLabel->"In[10]:="], Cell["\<\ Since we will be working with \[Psi](x, t) on a grid, we define a useful \ plotting utility:\ \>", "Text"], Cell[BoxData[ RowBox[{ RowBox[{ RowBox[{"plot\[Psi]", "[", RowBox[{"\[Psi]_List", ",", "options___"}], "]"}], ":=", RowBox[{"Module", "[", RowBox[{ RowBox[{"{", RowBox[{"p1", ",", "p2", ",", "p3", ",", "p4"}], "}"}], ",", RowBox[{ RowBox[{"p1", "=", RowBox[{"ListPlot", "[", RowBox[{ RowBox[{"Re", "[", "\[Psi]", "]"}], ",", RowBox[{"PlotStyle", "\[Rule]", RowBox[{"RGBColor", "[", RowBox[{"0", ",", "0", ",", "1"}], "]"}]}], ",", RowBox[{"Joined", "\[Rule]", "True"}], ",", RowBox[{"DisplayFunction", "\[Rule]", "Identity"}]}], "]"}]}], ";", RowBox[{"p2", "=", RowBox[{"ListPlot", "[", RowBox[{ RowBox[{"Im", "[", "\[Psi]", "]"}], ",", RowBox[{"PlotStyle", "\[Rule]", RowBox[{"RGBColor", "[", RowBox[{"1", ",", "0", ",", "0"}], "]"}]}], ",", RowBox[{"Joined", "\[Rule]", "True"}], ",", RowBox[{"DisplayFunction", "\[Rule]", "Identity"}]}], "]"}]}], ";", RowBox[{"p3", "=", RowBox[{"ListPlot", "[", RowBox[{ RowBox[{"Abs", "[", "\[Psi]", "]"}], ",", RowBox[{"Joined", "\[Rule]", "True"}], ",", RowBox[{"DisplayFunction", "\[Rule]", "Identity"}]}], "]"}]}], ";", RowBox[{"p4", "=", RowBox[{"ListPlot", "[", RowBox[{ RowBox[{"-", RowBox[{"Abs", "[", "\[Psi]", "]"}]}], ",", RowBox[{"Joined", "\[Rule]", "True"}], ",", RowBox[{"DisplayFunction", "\[Rule]", "Identity"}]}], "]"}]}], ";", RowBox[{"Show", "[", RowBox[{"p1", ",", "p2", ",", "p3", ",", "p4", ",", RowBox[{"DisplayFunction", "\[Rule]", "$DisplayFunction"}], ",", "options"}], "]"}]}]}], "]"}]}], ";"}]], "Input", CellLabel->"In[16]:="], Cell[BoxData[ RowBox[{"plot\[Psi]", "[", RowBox[{"\[Psi]0", ",", " ", RowBox[{"Frame", "\[Rule]", " ", "True"}]}], "]"}]], "Input", CellChangeTimes->{3.448899220637231*^9}, CellLabel->"In[17]:="] }, Closed]], Cell[CellGroupData[{ Cell["How big \"really\"?", "Subsubsection"], Cell["Can we put some real units on the dimensions?", "Text"], Cell[BoxData[ RowBox[{ RowBox[{"Needs", "[", "\"\\"", "]"}], ";"}]], "Input", CellLabel->"In[18]:="], Cell[BoxData[ RowBox[{"m", " ", "=", " ", "ElectronMass"}]], "Input", CellLabel->"In[19]:="], Cell[BoxData["PlanckConstantReduced"], "Input", CellLabel->"In[20]:="], Cell[TextData[{ "An electron moving 100,000 m/s = 100 km/s (about room temperature)... ", StyleBox["E", FontSlant->"Italic"], "= \[HBar]\[Omega] and ", StyleBox["p", FontSlant->"Italic"], " = \[HBar] ", StyleBox["k.", FontSlant->"Italic"] }], "Text"], Cell[BoxData[ RowBox[{"energy", " ", "=", " ", RowBox[{ RowBox[{ FractionBox["1", "2"], "m", " ", RowBox[{ RowBox[{"(", RowBox[{"1.0*^5", " ", RowBox[{"Meter", " ", "/", "Second"}]}], ")"}], "^", "2"}]}], " ", "/.", RowBox[{"Kilogram", " ", "\[Rule]", " ", RowBox[{"Joule", " ", RowBox[{ RowBox[{"Second", "^", "2"}], " ", "/", RowBox[{ RowBox[{"Meter", "^", "2"}], " "}]}]}]}]}]}]], "Input", CellLabel->"In[21]:="], Cell[BoxData[ RowBox[{"%", "/", "BoltzmannConstant"}]], "Input", CellLabel->"In[22]:="], Cell[BoxData[ RowBox[{"frequency", " ", "=", " ", RowBox[{ RowBox[{"energy", "/", "PlanckConstantReduced"}], " ", "/", RowBox[{"(", RowBox[{"2", " ", "\[Pi]"}], ")"}]}]}]], "Input", CellLabel->"In[23]:="], Cell[BoxData[ RowBox[{"momentum", " ", "=", " ", RowBox[{ RowBox[{"m", " ", RowBox[{"(", RowBox[{"1.0*^5", " ", RowBox[{"Meter", " ", "/", " ", "Second"}]}], ")"}]}], "/.", RowBox[{"Kilogram", " ", "\[Rule]", " ", RowBox[{"Joule", " ", RowBox[{ RowBox[{"Second", "^", "2"}], " ", "/", RowBox[{ RowBox[{"Meter", "^", "2"}], " "}]}]}]}]}]}]], "Input", CellLabel->"In[24]:="], Cell[BoxData[ RowBox[{"wavenumber", " ", "=", " ", RowBox[{"momentum", "/", "PlanckConstantReduced"}]}]], "Input", CellLabel->"In[25]:="], Cell[BoxData[ RowBox[{"wavelength", " ", "=", " ", RowBox[{"2", " ", RowBox[{"\[Pi]", " ", "/", " ", "wavenumber"}]}]}]], "Input", CellLabel->"In[26]:="], Cell["\<\ For our initial condition, the wavenumber is p = 0.5. This sets the length \ scale. The wavelength is about 2 \[Pi] \[Times] 2 ~ 12 grid points. \ \>", "Text"] }, Closed]] }, Closed]], Cell[CellGroupData[{ Cell["Schrodinger's Equation: Explicit Method", "Section"], Cell[TextData[{ "The explicit method is the most straight-forward finite-difference \ approximation to Schrodinger's equation. However, as we will see, this method \ is ", StyleBox["unstable", FontSlant->"Italic"], " and it can not be used. For the ", StyleBox["explicit ", FontSlant->"Italic"], "method, we", " find \[Psi](", StyleBox["t+1", FontColor->RGBColor[1, 0, 1]], ", x) from \[Psi](t, x) using the formula below:\n\t\[Psi](", StyleBox["t + 1", FontColor->RGBColor[1, 0, 1]], ", x) \[TildeTilde] \[Psi](t, x) + I (\[Psi](t, x-1) - 2 \[Psi](t, x) + \ \[Psi](t, x+1)) - I V(x) \[Psi](t, x)" }], "Text"], Cell["We'll define our grid size and our initial condition:", "Text"], Cell[BoxData[ RowBox[{ RowBox[{"nGrid", " ", "=", " ", "100"}], ";"}]], "Input", CellLabel->"In[27]:="], Cell[BoxData[{ RowBox[{ RowBox[{"\[Psi]0", " ", "=", " ", RowBox[{"Table", "[", RowBox[{ RowBox[{ RowBox[{"initial", "[", RowBox[{"0.5", ",", RowBox[{"nGrid", "/", "2"}], ",", "5.0"}], "]"}], "[", "x", "]"}], ",", " ", RowBox[{"{", RowBox[{"x", ",", "1", ",", "nGrid"}], "}"}]}], "]"}]}], ";"}], "\[IndentingNewLine]", RowBox[{"plot\[Psi]", "[", RowBox[{"\[Psi]0", ",", " ", RowBox[{"PlotRange", "\[Rule]", " ", "All"}], ",", " ", RowBox[{"Frame", "\[Rule]", " ", "True"}]}], "]"}]}], "Input", CellChangeTimes->{3.4488992303802347`*^9}, CellLabel->"In[28]:="], Cell[TextData[{ "If we let the potential energy be ", StyleBox["V", FontSlant->"Italic"], " = 0, then each ", StyleBox["explicit", FontSlant->"Italic"], " time-step of the Schrodinger's equation on a grid can be written using ", StyleBox["ListConvolve[\[Ellipsis]]", FontWeight->"Bold"], ". 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This method is stable, but it can not be used because it \ introduces \"numerical diffusion\". The sum of the probabilities do not \ remain at 100%. 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We find ", StyleBox["explicit", FontSlant->"Italic"], " methods do not work since the solution becomes numerically unstable. We \ find fully ", StyleBox["implicit", FontSlant->"Italic"], " methods do not work because they are inaccurate. Fully ", StyleBox["implicit", FontSlant->"Italic"], " methods introduce \"numerical diffusion\". When we approximate the \ right-hand-side by the average of the present and forward-time values, then \ the solution is well-behaved and accurate. This is the method is called the \ Crank-Nicolson method." }], "Text"], Cell[TextData[{ "The forms of the solutions for a particle trapped within a box depend on \ the initial conditions. We looked at one initial condition showing a particle \ bouncing off the sides of the box. As a consequence of the \"wave-particle \ duality\" of quantum mechanics, an ", StyleBox["interference patter", FontSlant->"Italic"], " is seen when the particle strikes the wall. 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