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.
Inhaltsverzeichnis
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).
