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Solutions to Schrödinger’s equation

Ian R. Kenyon

Published Sep 10, 2019• 0 citations
Publisher

Abstract

Abstract Eigenstates of the square well potential are calculated and displayed. Barrier penetration and the connection to total internal reflection are explained. α–decay by barrier penetration is calculated and used to explain Geiger–Nuttall plots. Gauss–Hermite solutions to the harmonic oscillator potential are deduced and displayed. Zero point fluctuations are introduced. Hydrogen atom eigenstate wavefunctions for the Coulomb potential are calculated and displayed. Principal, orbital angular momentum and intrinsic angular momentum quantum numbers and their allowed combinations are discussed and interpreted: n, l, ml, s and ms. The Stern–Gerlach experiment and Pauli’s perception that electron spin is half-integral are presented; as are Beth’s experiment and photon spin. Dominance of electric dipole transitions and resulting selection rules discussed. Fine spectral structure and spin-orbit coupling are described. Nuclear spin and resulting hyperfine spectral structure are introduced. Landé factors introduced.

DOI
10.1093/oso/9780198808350.003.0002

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Abstract Eigenstates of the square well potential are calculated and displayed. Barrier penetration and the connection to total internal reflection are explained. α–decay by barrier penetration is calculated and used to explain Geiger–Nuttall plots. Gauss–Hermite solutions to the harmonic oscillator potential are deduced and displayed. Zero point fluctuations are introduced. Hydrogen atom eigenstate wavefunctions for the Coulomb potential are calculated and displayed. Principal, orbital angular momentum and intrinsic angular momentum quantum numbers and their allowed combinations are discussed and interpreted: n, l, ml, s and ms. The Stern–Gerlach experiment and Pauli’s perception that electron spin is half-integral are presented; as are Beth’s experiment and photon spin. Dominance of electric dipole transitions and resulting selection rules discussed. Fine spectral structure and spin-orbit coupling are described. Nuclear spin and resulting hyperfine spectral structure are introduced. Landé factors introduced.
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A comprehensive set of lecture and study notes covering fundamental atomic and molecular physics. The text systematically works through the breakdown of the classical Rutherford atom and the Bohr-Sommerfeld model, followed by a full 3D Schrödinger treatment of the hydrogen atom using spherical harmonics and Laguerre polynomials. It details relativistic corrections, spin-orbit coupling, and fine structure via Clebsch-Gordan addition and Kramers' recursion relations. The notes further explore magnetic field interactions (normal and anomalous Zeeman effect, Paschen-Back effect), time-dependent perturbation theory for light-matter transitions, electric dipole selection rules, the 21-cm hyperfine splitting of hydrogen, and two-electron systems (Helium, exchange integrals, and Slater determinants). Includes extensive reference tables and angular momentum formulas.
Part 1: the need for the quantum mechanics quantization of radiation the special theory of relativity wave-particle duality the nature of matter waves the uncertainty principle the Bohr atom. Part 2 Schrodinger's equation: the postulates of quantum mechanics the wave equation the wave equation in three dimensions the time-independent Schrodinger equation stationary states normalisation probability flux physical constraints on the wave-function wave packets Gaussian wave-packets and the uncertainty principle. Part 3 One-dimensional potential wells: potential wells the one-dimensional infinite square well discussion of infinite square-well results eigenvalue equations the finite square well finite square well eigenfunctions the control of the wave-function by the wave equation numerical integration of Schrodinger's equation continuum solutions of the square-well potential interpretation of unbound-particle wave functions the double potential well the quantum bouncer electric fields and the tilted well the harmonic oscillator - introduction the quantum oscillator discussion of harmonic oscillator eigenvalues and eigenfunctions the classical probability density more potential wells. Part 4 Schrodinger's equation in three dimensions: particle in a three dimensional box degeneracy Schrodingers equation in spherical polar coordinates - the hydrogen atom normalisation. Part 5 Formal development of quantum mechanics: eigenvalues equations, operators and measurements the momentum operator, eigenvalues and eigenfunctions the position operator and its eigenfunctions Hermitian operators orthogonality of eigenfunctions the expansion postulate example - the b-decay of tritium expectation values compatibility of observables - commutators non-commuting operators time-dependence of expectation values - Ehrenfest's theorem abstract operators - the parity operator, matrix mechanics. Part 6 Angular momentum: angular momentum operators angular momentum commutators angular momentum eigenvalues and eigenfunctions interpretation of angular momentum eigenvalues interpretation of angular momentum eigenfunctions the Stern-Gerlach apparatus and electron spin spin operators - the Pauli Spin matrices the Zeeman effect measurements in quantum mechanics. Part 7 Spherically symmetric potential wells: the rigid rotator the radial equation the hydrogen atom and hydrogen like ions the isotropic harmonic oscillator molecular vibrations - the Morse potential the spherical square well general properties of spherically symmetric potential wells. (Part contents)
The chapter begins with the introduction of the two-particle Schrödinger wave equation (SWE) and the solution of this equation for the hydrogen atom. The orbital angular momentum of the electron results from the SWE solution. The Pauli spinors are introduced, and the SWE wavefunctions are modified to account for the spin of the electron. The structure of multielectron atoms is then discussed. The discussion is focused on low-Z atoms for which Russell–Saunders or LS coupling is appropriate. Alternate coupling schemes are briefly discussed. Angular momentum coupling algebra, the Clebsch–Gordan coefficients, and 3j symbols are then introduced. The Wigner–Eckart theorem is discussed, and the use of irreducible spherical tensors for evaluation of quantum mechanical matrix elements is discussed in detail.
First, the experimental foundations for the existence of a new dynamical variable, the spin of particles, are presented. The Pauli equation is then derived in detail, two applications are given and the energy levels of a particle with spin in a constant magnetic field are studied. This is the analysis of Landau levels, which can be performed by using the known results on the spectrum of harmonic oscillators. In this chapter we also study in detail the addition of orbital angular momentum and spin, as well as the spin–orbit interaction with the resulting Thomas precession. Stern-Gerlach experiment and electron spin The hypothesis that the electron has an intrinsic magnetic moment and an angular momentum, in short a spin , was first suggested in Uhlenbeck and Goudsmit (1926). They noticed, even before the discovery of quantum mechanics, that a complete description of spectra was not possible unless a magnetic moment and a mechanical moment were ascribed to the electron, and hence the concept of an electron as a point charge was insufficient. First, let us therefore try to understand how a magnetic moment can be associated to an atomic system. For this purpose, consider for simplicity the Bohr model of an hydrogen atom, where the electron moves along a circular orbit and rotates with orbital angular momentum L .
The goal of Quantum Mechanics I, A Problem Text, is to enable students to solve problems appropriate to their first course in quantum mechanics. Significantly detailed solutions to traditionally posed problems dominate. Theory and rationale are addressed in prescript and postscript narratives and/or within the solved problems to guide students; and clarify vocabulary, symbology, and terminology. Applications of the postulates are presented initially using arguments from linear algebra appropriate to discrete systems with low-dimensional vectors and matrix operators, introducing orthogonality, orthonormality, Hermiticity, eigenvectors, eigenvalues, probability, expectation value, and degeneracy. These arguments blend into infinite-dimensional vectors and operators, and calculus-based arguments for continuous systems where delta functions, theta functions, and Fourier transforms are initially discussed. Dirac notation is fully developed within these first five chapters. Chapter six discusses Ehrenfest’s theorem, the Heisenberg uncertainty relations, and Gaussian wave functions and wave packets. Increasingly sophisticated potential energy functions are then treated to include the free particle, the infinite square well, the one-dimensional scattering state, the simple harmonic oscillator, the finite square well, orbital angular momentum, and the hydrogen atom. Ladder operators are featured in the developments of the simple harmonic oscillator and orbital angular momentum. The diversity of narratives and detailed solutions intend