The hydrogen molecule-ion in the momentum representation.

Title: The hydrogen molecule-ion in the momentum representation.
Identifier: AAI9304630
identifier: 9304630
Creator: Abrams, Cathryn J.
Contributor: Adviser: John Lombardi
Date: 1992
Language: English
Publisher: City University of New York.
Subject: Chemistry, Physical
Abstract: The ground state wave function for the hydrogen molecule-ion is derived in momentum space from a linear combination of hydrogen atom functions. The transform used is one in which the momentum variables are conjugate to corresponding position variables (r, cos{dollar}\theta{dollar}, {dollar}\phi{dollar}). The transformed wave function is shown to give the correct energies when used in the calculation of the relevant matrix elements. The calculations are greatly simplified by considering the momentum variables to be complex, which enables the use of Cauchy's residue theorem. Expressions for the potential energy operators 1/r{dollar}\sb{lcub}\rm a{rcub}{dollar} and 1/r{dollar}\sb{lcub}\rm b{rcub}{dollar} are derived in this momentum representation, as well as shifted Slater orbitals centered on nucleus b, which are considered as a basis for future calculations on more complex systems.
Type: dissertation
Source: PQT Legacy CUNY.xlsx
degree: Ph.D.