Modern Electronic Structure Theory - Part I
Will be published approx. on 28. September 1995
Book
Paperback/Softback
768 pages
978-981-02-2987-0 (ISBN)
Description
Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
Reviews / Votes
"This treatise is a pedogogically oriented collection of 22 chapters chosen to comprehensively present the quantum mechanics of electronic phenomena in molecules. It is an excellent effort to match increases in the physical understanding of chemistry with the astonishing advances in digital computer power and accessibility ... The two-volume set is a necessary addition to chemistry libraries or research group holdings." Leland C Allen J. Am. Chem. Soc., 1996More details
Series
Language
English
Place of publication
Singapore
Singapore
Target group
College/higher education
Professional and scholarly
ISBN-13
978-981-02-2987-0 (9789810229870)
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Classification
Person
Content
Volume 1: The Chemical Applicability of Standard Methods in Ab Initio Molecular Quantum Mechanics (H F Schaefer III et al); Multiconfigurational Second-Order Perturbation Theory (K Andersson & B 0 Roos); Direct Methods in Electronic Structure Theory (J Almlof ); Ab Initio Calculation of Spin-Orbit Effects in Molecules Including Electron Correlation (B Hess et al.); Theoretical Studies of Fullerenes (G E Scuseria); Main Group Organometallic Chemistry - Bonding Structure and Reactivity (M S Gordon); The Analytic Gradient Method for Configuration Interaction Wave Functions (R Shepard); Geometry Optimization on Potential Energy Surfaces (H B Schlegel); The Incorporation of Modern Electronic Structure Methods in Electron-Molecule Collision Problems - Variational Calculations Using the Complex Kohn Method (T N Rescigno et al); Exact Expansion Methods for Atomic Hydrogen in an External Electrostatic Field - Divergent Perturbation Series, Borel Summability, Semiclassical Approximation and Expansion of Photoionization Cross Section Over Resonance Eigenvalues (H J Silverstone); Electronic Structure Aspects of Nonadiabatic Processes in Polyatomic Systems (D R Yarkony).