This book covers the following topics:
The Old Quantum Theory, Principles Of Classical Mechanics, Principles Op Quantum
Mechanics, The Quantum Mechanics Of Some Simple Systems, The Hydrogen Atom,
Atomic Structure, Group Theory, Electronic States Of Diatomic Molecules,
Elements Op Quantum Statistical Mechanics, The Principles Of Molecular
Spectroscopy.
Author(s): Henry
Eyring, John Walter and George E. Kimball
This note
gives a detailed exposition to quantum chemistry, starting with the quantum
mechanics of one electron and extending to systems with two or more electrons.
It explains in detail how the principles of quantum mechanics are applied to the
description of atoms and molecules, including detailed discussions of the
Schrodinger equation and how it can be applied in simple systems. Material
offers insight into how quantum chemistry methods evolve when applied to
multi-electron systems, and thus is a good springboard for more advanced topics,
including molecular orbital theory and electronic structure methods. The note
would be especially suitable for those who have started taking quantum chemistry
and wish to become familiarized with the foundation of quantum mechanical
descriptions of matter.
This introductory note
provides a sound basis in quantum chemical theory. It is structured by a brief
overview of basic concepts, followed by close scrutiny of the GAMESS
computational chemistry package and its applications. The note provides a
starting point for the theory behind calculations performed in quantum chemical
chemistry; it can be suitable for those new to computational chemistry or for
students looking to get a foot in the door as regards practical tools for
molecular simulation.