TY  - BOOK
AU  - Wilson,S.
ED  - ScienceDirect eBooks.
TI  - Advances in quantum chemistry
T2  - Advances in quantum chemistry
SN  - 9780080582573
AV  - QD462 .A38 1999eb
PY  - 1999///
KW  - Quantum chemistry
KW  - Quantum theory
KW  - SCIENCE
KW  - Chemistry
KW  - Physical & Theoretical
KW  - bisacsh
KW  - fast
KW  - Electronic books
KW  - local
N1  - Includes bibliographical references and index; Front Cover; Advances in Quantum Chemistry, Volume 32; Copyright Page; Contents Volume 32; Contributors Volume 32; Contents Volume 31; Contributors Volume 31; Preface; Workshop Participants; Chapter 1. Ab Initio Relativistic Quantum Chemistry: Four Components Good, Two Components Bad!; Chapter 2. Modern VB Representations of CASSCF Wave Functions and the Fully Variational Optimization of Modern VB Wave Functions Using the CASVB Strategy; Chapter 3. On the Electronic Structure of ScB+: Ground and Low-Lying Excited States; Chapter 4. On the Effects of Basis Set Truncation and Electron Correlation in the Conformers of 2-Hydroxy-acetamideChapter 5. Gas-Phase Conformational Analysis of (R, R)-Tartaric Acid, Its Diamide, N, N, N', N', -Tetramethyldiamide, and Model Compounds; Chapter 6. Recent Theoretical Developments in Conical-Intersection Effects in Triatomic Spectra; Chapter 7. Ab Initio Determination of Band Structures of Vibrational Spectra of Nonrigid Molecules: Applications to Methylamine and Dimethylamine; Chapter 8. Gauge Invariance and Multipole Moments; Chapter 9. Vertical Electron Transitions in Rydberg RadicalsChapter 10. Time-Dependent Quantum Treatment of Two-Color Multiphoton Ionization Using a Strong Laser Pulse and High-Order Harmonic Radiation; Chapter 11. Methods Involving Complex Coordinates Applied to Atoms; Chapter 12. Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model; Chapter 13. New ab Initio VB Interaction Potential for Molecular Dynamics Simulation of Liquid Water; Chapter 14. Systematic Sequences of Even-Tempered Gaussian Primitives for Diatomic Molecules in Solution: A Preliminary Study Using Continuum Solvation ModelsChapter 15. Beyond the Transition State Treatment; Index
N2  - The description of quantum systems is fundamental to an understanding of many problems in chemistry and physics. This volume records a representative slection of the papers delivered at the second European Workshop on Quantum Systems in Chemistry and Physics which was held at Jesus College, Oxford, April 6-9, 1997. The purpose of this international Workshop was to bring together chemists and physicists with a common interest--the quantum mechanical many-body problem--and to encourage collaboration and exchange of ideas on the fundamentals by promoting innovative theory and conceptual de
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