Using Mathematica for Quantum Mechanics: A Student’s Manual – (2019)

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Using Mathematica for Quantum Mechanics: A Student’s Manual
by Roman Schmied (Author)

This book is an attempt to help students transform all of the concepts of quantum mechanics into concrete computer representations, which can be constructed, evaluated, analyzed, and hopefully understood at a deeper level than what is possible with more abstract representations. It was written for a Master's and PhD lecture given yearly at the University of Basel, Switzerland. The goal is to give a language to the student in which to speak about quantum physics in more detail, and to start the student on a path of fluency in this language. On our journey we approach questions such as: -- You already know how to calculate the energy eigenstates of a single particle in a simple one-dimensional potential. How can such calculations be generalized to non-trivial potentials, higher dimensions, and interacting particles ? -- You have heard that quantum mechanics describes our everyday world just as well as classical mechanics does, but have you ever seen an example where such behavior is calculated in detail and where the transition from classical to quantum physics is evident ? -- How can we describe the internal spin structure of particles ? How does this internal structure couple to the particles' motion ? -- What are qubits and quantum circuits, and how can they be assembled to simulate a future quantum computer ? This is third edition with major additions: included executable Mathematica notebooks; included solutions to exercises; included Quantum Circuits, Rashba model, Jaynes-Cummings model.


Table of contents
1 Wolfram language overview 1.1 introduction1.1.1 exercises1.2 variables and assignments1.2.1 immediate and delayed assignments1.2.2 exercises1.3 four kinds of bracketing1.4 prefix and postfix1.4.1 exercises1.5 programming constructs1.5.1 procedural programming1.5.2 exercises1.5.3 functional programming1.5.4 exercises1.6 function definitions1.6.1 immediate function definitions1.6.2 delayed function definitions1.6.3 functions that remember their results1.6.4 functions with conditions on their arguments1.6.5 functions with optional arguments1.7 rules and replacements1.7.1 immediate and delayed rules1.7.2 repeated rule replacement1.8 many ways to define the factorial function1.8.1 exercises1.9 vectors, matrices, tensors1.9.1 vectors1.9.2 matrices1.9.3 sparse vectors and matrices1.9.4 matrix diagonalization1.9.5 tensor operations1.9.6 exercises1.10 complex numbers1.11 units2 quantum mechanics 2.1 basis sets and representations 2.1.1 incomplete basis sets 2.1.2 exercises 2.2 time-independent Schroedinger equation 2.2.1 diagonalization 2.2.2 exercises 2.3 time-dependent Schroedinger equation 2.3.1 time-independent basis 2.3.2 time-dependent basis: interaction picture 2.3.3 special case: I (t), (tt)l = 0 (t, tt) H H2.3.4 special case: time-independent Hamiltonian 2.3.5 exercises 2.4 basis construction 2.4.1 description of a single degree of freedom 2.4.2 description of coupled degrees of freedom 2.4.3 reduced density matrices 2.4.4 exercises 3 spin systems 3.1 quantum-mechanical spin and angular momentum operators 3.1.1 exercises 3.2 spin-1/2 electron in a dc magnetic field 3.2.1 time-independent Schroedinger equation 3.2.2 exercises 3.3 coupled spin systems: 87Rb hyperfine structure 3.3.1 eigenstate analysis 3.3.2 "magic" magnetic field 3.3.3 coupling to an oscillating magnetic field 3.3.4 exercises 3.4 coupled spin systems: Ising model in a transverse field 3.4.1 basis set 3.4.2 asymptotic ground states 3.4.3 Hamiltonian diagonalization 3.4.4 analysis of the ground state 3.4.5 exercises 4 real-space systems 4.1 one particle in one dimension 4.1.1 computational basis functions 4.1.2 example: square well with bottom step 4.1.3 the Wigner quasi-probability distribution 4.1.4 1D dynamics in the square well 4.1.5 1D dynamics in a time-dependent potential 4.2 non-linear Schroedinger equation 4.2.1 ground state of the non-linear Schroedinger equation 4.3 several particles in one dimension: interactions 4.3.1 two identical particles in one dimension with contact interaction 4.3.2 two particles in one dimension with arbitrary interaction 4.4 one particle in several dimensions 4.4.1 exercises 5 combining space and spin 5.1 one particle in 1D with spin 5.1.1 separable Hamiltonian 5.1.2 non-separable Hamiltonian 5.1.3 exercises5.2 one particle in 2D with spin: Rashba coupling5.2.1 exercises 5.3 phase-space dynamics in the Jaynes-Cummings model exercises

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