Accurate basis sets for the calculation of bound and continuum wave functions of the Schrödinger equation

1997 ◽  
Vol 55 (5) ◽  
pp. 3417-3421 ◽  
Author(s):  
B. I. Schneider
Keyword(s):  
Schrödinger Equation ◽  
Schrodinger Equation ◽  
Wave Functions ◽  
Basis Sets ◽  
Continuum Wave

Quantum Boxes, Stringed Instruments

2017 ◽  
Author(s):  
Frank S. Levin
Keyword(s):  
Energy Level ◽  
Schrödinger Equation ◽  
Quantum System ◽  
Schrodinger Equation ◽  
Probability Distributions ◽  
Wave Functions ◽  
Energy Level Diagram ◽  
One Dimensional ◽  
Stringed Instruments ◽  
Symmetry Properties

Chapter 7 illustrates the results obtained by applying the Schrödinger equation to a simple pedagogical quantum system, the particle in a one-dimensional box. The wave functions are seen to be sine waves; their wavelengths are evaluated and used to calculate the quantized energies via the de Broglie relation. An energy-level diagram of some of the energies is constructed; on it are illustrations of the corresponding wave functions and probability distributions. The wave functions are seen to be either symmetric or antisymmetric about the midpoint of the line representing the box, thereby providing a lead-in to the later exploration of certain symmetry properties of multi-electron atoms. It is next pointed out that the Schrödinger equation for this system is identical to Newton’s equation describing the vibrations of a stretched musical string. The different meaning of the two solutions is discussed, as is the concept and structure of linear superpositions of them.

A Student's Guide to the Schrödinger Equation

2020 ◽  
Author(s):  
Daniel A. Fleisch
Keyword(s):  
Quantum Mechanics ◽  
Schrödinger Equation ◽  
Schrodinger Equation ◽  
Wave Functions ◽  
Plain Language ◽  
Science And Engineering ◽  
Popular Approach ◽  
Matlab Code ◽  
Mathematical Techniques

Quantum mechanics is a hugely important topic in science and engineering, but many students struggle to understand the abstract mathematical techniques used to solve the Schrödinger equation and to analyze the resulting wave functions. Retaining the popular approach used in Fleisch's other Student's Guides, this friendly resource uses plain language to provide detailed explanations of the fundamental concepts and mathematical techniques underlying the Schrödinger equation in quantum mechanics. It addresses in a clear and intuitive way the problems students find most troublesome. Each chapter includes several homework problems with fully worked solutions. A companion website hosts additional resources, including a helpful glossary, Matlab code for creating key simulations, revision quizzes and a series of videos in which the author explains the most important concepts from each section of the book.

EXACT SOLUTIONS OF THE SCHRÖDINGER EQUATION WITH SPHERICALLY SYMMETRIC OCTIC POTENTIAL

2012 ◽  
Vol 27 (20) ◽  
pp. 1250112 ◽  
Author(s):  
DAVIDS AGBOOLA ◽  
YAO-ZHONG ZHANG
Keyword(s):  
Schrödinger Equation ◽  
Exact Solutions ◽  
Closed Form ◽  
Schrodinger Equation ◽  
Wave Functions ◽  
Spherically Symmetric ◽  
Algebraic Equations ◽  
Potential Parameters

We present exact solutions of the Schrödinger equation with spherically symmetric octic potential. We give closed-form expressions for the energies and the wave functions as well as the allowed values of the potential parameters in terms of a set of algebraic equations.

EXACT WAVE FUNCTIONS AND ENERGIES OF A NON-RELATIVISTIC FREE QUANTUM PARTICLE ON THE SURFACE OF A DEGENERATE TORUS

2004 ◽  
Vol 19 (23) ◽  
pp. 1759-1766 ◽  
Author(s):  
AXEL SCHULZE-HALBERG
Keyword(s):  
Schrödinger Equation ◽  
Closed Form ◽  
Schrodinger Equation ◽  
Quantum Particle ◽  
Azimuthal Angle ◽  
Polar Angle ◽  
Wave Functions ◽  
Exactly Solvable

We study the non-relativistic Schrödinger equation for a free quantum particle constrained to the surface of a degenerate torus, parametrized by its polar and azimuthal angle. On restricting to wave functions that depend on the polar angle only, the Schrödinger equation becomes exactly-solvable. We compute its physical solutions (continuous, normalizable and 2π-periodic) and the associated energies in closed form.

scholarly journals The bound state solutions of the D-dimensional Schrödinger equation for the Woods–Saxon potential

2016 ◽  
Vol 25 (01) ◽  
pp. 1650002 ◽  
Author(s):  
V. H. Badalov
Keyword(s):  
Schrödinger Equation ◽  
Schrodinger Equation ◽  
Bound State ◽  
Wave Functions ◽  
Saxon Potential ◽  
Radial Wave ◽  
Energy Eigenvalues ◽  
Quantum Numbers ◽  
Radial Schrödinger Equation ◽  
Pekeris Approximation

In this work, the analytical solutions of the [Formula: see text]-dimensional radial Schrödinger equation are studied in great detail for the Wood–Saxon potential by taking advantage of the Pekeris approximation. Within a novel improved scheme to surmount centrifugal term, the energy eigenvalues and corresponding radial wave functions are found for any angular momentum case within the context of the Nikiforov–Uvarov (NU) and Supersymmetric quantum mechanics (SUSYQM) methods. In this way, based on these methods, the same expressions are obtained for the energy eigenvalues, and the expression of radial wave functions transformed each other is demonstrated. In addition, a finite number energy spectrum depending on the depth of the potential [Formula: see text], the radial [Formula: see text] and orbital [Formula: see text] quantum numbers and parameters [Formula: see text] are defined as well.

scholarly journals Generalization of Brillouin theorem for the non-relativistic electronic Schrödinger equation in relation to coupling strength parameter, and its consequences in single determinant basis sets for configuration interactions

2017 ◽  
Author(s):  
Sandor Kristyan
Keyword(s):  
Schrödinger Equation ◽  
Coupling Strength ◽  
Schrodinger Equation ◽  
Basis Set ◽  
Basis Sets ◽  
Single Line ◽  
Strength Parameter ◽  
Physical Case ◽  
Ci Calculations

<p> The Brillouin theorem has been generalized for the extended non-relativistic electronic Hamiltonian (H<sub>Ñ</sub>+ H<sub>ne</sub>+ aH<sub>ee</sub>) in relation to coupling strength parameter (a), as well as for the configuration interactions (CI) formalism in this respect. For a computation support, we have made a particular modification of the SCF part in the Gaussian package: essentially a single line was changed in an SCF algorithm, wherein the operator r<sub>ij</sub><sup>-1</sup> was overwritten as r<sub>ij</sub><sup>-1</sup> ® ar<sub>ij</sub><sup>-1</sup>, and “a” was used as input. The case a=0 generates an orto-normalized set of Slater determinants which can be used as a basis set for CI calculations for the interesting physical case a=1, removing the known restriction by Brillouin theorem with this trick. The latter opens a door from the theoretically interesting subject of this work toward practice. </p>

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