Table of Contents: ADVANCES IN QUANTUM CHEMISTRY VOL 12

ADVANCES IN QUANTUM CHEMISTRY VOL 12.

Main Author:	Author, Unknown.
Other Authors:	Unknown,, ScienceDirect (Online service)
Format:	eBook
Language:	English
Published:	Burlington : Elsevier Science, 1981.
Physical Description:	1 online resource (337 pages).
Series:	Advances in quantum chemistry.
Subjects:	Chemisorption. Quantum chemistry.

Table of Contents:

Front Cover
Advances in Quantum Chemistry, Volume 12
Copyright Page
Contents
List of Contributors
Preface
Chapter 1. Accurate One- and Two-Electron Diatomic Molecular Calculations
I. Introduction
II. Born-Oppenheimer Calculations
III. Relativistic and Radiative Corrections
IV. Adiabatic Calculations
V. Nonadiabatic Calculations
VI. The Outlook for the Future
References
Chapter 2. Variational Approach to Orthogonality and Normality of Basis Ket-Vectors
I. Introduction
II. Orthonormality-Constrained Variation (ONCV) for Ket-Vectors.
III. Maximum and Minimum Orbitals
IV. Unitary Transformation and ONCV
V. Variational Method for a Pair of Basis Sets
References
Chapter 3. Quantum Mechanical Methods for Regular Polymers
I. Introduction
II. LCAO Methods for Band Structure Calculations of Polymers
III. Applications of LCAO Methods to Stereoregular Polymers
IV. Conclusion
References
Chapter 4. The Cluster Approach in Theoretical Study of Chemisorption
I. Introduction
II. Methods of Calculation
III. Results
IV. Adsorbate Crystallography
V. Dynamical Studies
VI. Conclusions.
II. Calculation of Approximate Eigenfunctions
III. Computational Problems in Molecular Studies
IV. Some Trends in Current Molecular Structure Calculations
V. Some Current Problems and Aspects for the Future
Note Added in Proof
References
Index
Contents of Previous Volumes.