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| ADVANCES IN QUANTUM CHEMISTRY, 49
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 To order this title, and for more information, click here
Edited By
John Sabin, Quantum Theory Project, University of Florida, USA
Erkki Brandas, Uppsala University, Sweden
Included in series
Advances in Quantum Chemistry, 49
Description
Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically
established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers,
each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.
This volume continues
the tradition with high quality and thorough reviews of various aspects of quantum chemistry. It contains a variety of topics that include
an extended and in depth discussion on the calculation of analytical first derivatives of the energy in a similarity transformed equation
of motion couples cluster method.
Audience
Quantum chemists, physical chemists, physicists
Contents
1. Analytical Energy Gradients for Excited-State Coupled-Cluster methods: Automated Algebraic Derivation of First Derivatives for Equation-of-Motion
Coupled-Cluster and Similarity Transformed Equation-of-Motion Coupled-Cluster Theories (M. Wladyslawski, M. Nooijen).
2. Autoionizing
States of Atoms Calculated Using Generalized Sturmians (J. Avery, J. Avery).
3. Mathematical Elements of Quantum Electronic Density
Functions (R. Carbo-Dorca).
4. Quantum Monte Carlo: Theory and Application to Molecular Systems (A. Aspuru-Guzik, W.A. Lester,
Jr.).
5. From Fischer Projections to Quantum Mechanics of Tetrahedral Molecules: New Perspectives in Chirality(S. Capozziello, A.
Lattanzi).
6. On the Canonical Formulation of Electrodynamics and Wave Mechanics (D. Masiello et al).
7. Stopping
Power: What's Next? (J.R. Sabin, J. Oddershede).
| Bibliographic details |
Hardbound, 340 pages, publication date: DEC-2005
ISBN-13: 978-0-12-034849-7
ISBN-10: 0-12-034849-7
Imprint: ACADEMIC PRESS
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| Price and Ordering |
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USD 215
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Last update: 27 Sep 2008
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