Modern Electronic Structure Theory, Part 1

Front Cover
World Scientific, 1995 - Science - 1462 pages
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.
 

Contents

The Chemical Applicability of Standard Methods
3
ExchangeCorrelation Approximations in Density
15
Multiconfigurational SecondOrder Perturbation
55
Direct Methods in Electronic Structure Theory
110
Ab Initio Calculation of SpinOrbit Effects
152
Theoretical Studies of Fullerenes
279
Bonding
311
The Analytic Gradient Method for Configuration
345
The Incorporation of Modern Electronic Structure
501
Exact Expansion Methods for Atomic Hydrogen in
589
David R Yarkony
642
Part II
675
Index
TimeDependent Response Theory with Applications
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