Incorporating relativity into quantum mechanics presents challenges, one of which is the inconsistent possibility of multiple particles within a single-particle theory. This chapter describes the traditional, semi-analytic bound state in a 1-D box problem that requires a trial-and-error search algorithm. It examines techniques for finding the bound states for an arbitrary potential as a numerical eigenvalue problem and employs similar techniques for the relativistic hydrogen states of the Klein-Gordon equation. The chapter also employs a Monte Carlo algorithm to simulate the spontaneous decay of atoms or nuclei. It presents the numerical solution of the time-independent Schrodinger equation and also examines partial wave expansions, which leads to methods of computing the spherical harmonics and the associated Legendre functions, and ultimately the 3-D hydrogenic wave functions. The chapter deals with the Feynman path integral formulation of quantum mechanics, and its solution via the Metropolis algorithm.
Incorporating relativity into quantum mechanics presents challenges, one of which is the inconsistent possibility of multiple particles within a single-particle theory. This chapter describes the traditional, semi-analytic bound state in a 1-D box problem that requires a trial-and-error search algorithm. It examines techniques for finding the bound states for an arbitrary potential as a numerical eigenvalue problem and employs similar techniques for the relativistic hydrogen states of the Klein-Gordon equation. The chapter also employs a Monte Carlo algorithm to simulate the spontaneous decay of atoms or nuclei. It presents the numerical solution of the time-independent Schrodinger equation and also examines partial wave expansions, which leads to methods of computing the spherical harmonics and the associated Legendre functions, and ultimately the 3-D hydrogenic wave functions. The chapter deals with the Feynman path integral formulation of quantum mechanics, and its solution via the Metropolis algorithm.
Chapter Preview: We begin at the beginning with Plank's black-body radiation spectrum applied to the cosmic background. We move on to bound states; first finding them semi-analytically with a trial-and-error search, and then finding them numerically as an eigenvalue problem. We include relativistic effects in hydrogen bound states by solving the Klein-Gordon equation. We then examine the numerical solution of the time- independent Schrödinger equation, and various types of bound state wave functions. We move on to wave packet solutions of the time- dependent Schrödinger equation. Then we study scattering from: a 3-D square well, the Coulomb potential, three stationary disks, and on a billiard table (see also classical billiards in § 3.8 ). We next look at quantum mechanics in momentum space: integral equations, bound states, the delta-shell potential, hyperfine structure of hydrogen, SU3 symmetry of quarks. Next to last we examine several examples of coherent states. We end the chapter with the Feynman path integral formulation of quantum mechanics, and its solution via the Metropolis algorithm. If not enough, Chapter 8 discussion of quantum entanglement fits in well here too.
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)
This book covers the entire span of quantum mechanics whose developments have taken place during the early part of the twentieth century up till the present day. We start with the Rutherford-Bohr model of the atom followed by Schrodinger's wave mechanics with its application to the solution of calculating the energy spectrum of a particle in a box, the harmonic oscillator and finally the hydrogen atom. Heisenberg's matrix mechanics and its duality with Schrodinger's wave mechanics, quantum mechanics in the interaction picture. Dirac's relativistic theory of the electron exhibiting the spin of the electron as a relativistic effect when it interacts with an external electromagnetic field. Feynman's path integral approach to non-relativistic quantum mechanics with is a marvellous intuitive interpretation as a sum over paths and how classical mechanics is obtained from its limit as Planck' constant tends to zero, methods for computing the spectra of the Dirac Hamiltonian in a radial potential, quantum field theory as developed by Feynman, Schwinger, Tomonaga and Dyson for describing the interaction between electrons, positrons, and photons via propagators using both the operator theoretic expansions and Feynman's path integral. We also introduce time independent and time dependent perturbation theory in quantum mechanics with applications to quantum gate design for quantum computers forming a major part of the research conducted by the author's research group, Quantum noise introduced into the Schrodinger and Dirac's equation based on the Hudson-Parthasarathy quantum stochastic calculus in Boson Fock space, scattering theory and wave operators with applications to quantum gate design, some aspects of second quantization like the interpretation of Boson Fock space in terms of harmonic oscillator algebras and the BCS theory of superconductivity, Wigner-Mackey-Frobenius theory of induced representations of a group with applications to Wigner's theory of particle classification, Dirac's equation in a gravitational field and Yang-Mills non-Abelian gauge theories with application to the construction of unified quantum field theories and finally, the more recent theory of super-symmetry which is a Boson-Fermion unification theory. We have discussed the statistics of Boson's, Fermions and Maxwell-Boltzmann based on entropy maximization. The book is written in problem-solution format and it would be of use to physicists and engineers interested respectively in developing unified field theories and in the design of quantum gates. Note: T&F does not sell or distribute the Hardback in India, Pakistan, Nepal, Bhutan, Bangladesh and Sri Lanka.
This chapter focuses on widely used approximate method: the numerical integration of the Schrodinger equation, restricting ourselves to one dimension for simplicity. There is a plethora of approaches that yield highly accurate numerical eigenvalues and eigenfunctions. In quantum mechanics one sometimes seeks after bound stationary states that satisfy given physical boundary conditions. Boundary conditions at infinity play a relevant role in quantum mechanics, in which case one looks for bound states that vanish asymptotically at the end points of coordinate interval. Solving the propagation matrix equation exactly for every coordinate pair in the physical interval is as difficult as solving the original differential equation. However, sometimes the former is preferable to develop approximate numerical algorithms for the accurate calculation of eigenvalues and eigenfunctions. The perturbation method based on the Taylor expansion only requires derivatives of the potential energy function, which one obtains easily in most cases and appears to be preferable for the systematic improvement of the approximate propagation matrix.
Introduction In Chapters 1 to 4 we studied methods for solving the Schrödinger equation for many-electron systems. Many of the techniques described there carry over to other quantum many-particle systems, such as liquid helium, and the protons and neutrons in a nucleus. The techniques which we discussed there were, however, all of a mean-field type and therefore correlation effects could not be taken into account without introducing approximations. In this chapter, we consider more accurate techniques, which are similar to those studied in Chapter 10 and are based on using (pseudo-)random numbers – hence the name ‘Monte Carlo’ for these methods. In Chapter 10 we applied Monte Carlo techniques to classical many-particle systems; here we use these techniques for studying quantum problems involving many particles. In the next section we shall see how we can apply Monte Carlo techniques to the problem of calculating the quantum mechanical expectation value of the ground state energy. This is used in order to optimise this expectation value by adjusting a trial wave function in a variational type of approach, hence the name variational Monte Carlo (VMC). In the following section we use the similarity between the Schrödinger equation and the diffusion equation in order to calculate the properties of a collection of interacting quantum mechanical particles by simulating a classical particle diffusion process. The resulting method is called diffusion Monte Carlo (DMC).
There are certain prime features of physical systems—notably rotation and its associated angular momentum—that simply do not appear in a one-dimensional world. This chapter introduces the three-dimensional Schrodinger equation and applies it to the analysis of a particle in a three-dimensional box and to the spherically symmetric wave functions of hydrogen. The time-independent Schrodinger equation can be viewed in a way that gives it a family resemblance to many other differential equations of physics, and which expresses its structure in very general terms. A computer solution uses dimensionless variables based on natural units. The Schrodinger theory does not have the limitations of the Bohr theory. Schrodinger theory incorporates the well-established wave nature of matter and can be generalized to analyze systems for which the Bohr theory has proven inadequate: multi-electron atoms, chemical properties of atoms, molecular and solid-state physics and chemistry, as well as more subtle effects in hydrogen itself.