Advances in Quantum Chemistry - 1st Edition - ISBN: 9780120348367, 9780080582610

Advances in Quantum Chemistry, Volume 36

1st Edition

Thematic title: From Electronic Structure to Time-Dependent Processes

Serial Editors: John Sabin Michael Zerner Erkki Brandas Alessandro Lami Vincenzo Barone
Editor-in-Chiefs: Per-Olov Lowdin
eBook ISBN: 9780080582610
Hardcover ISBN: 9780120348367
Imprint: Academic Press
Published Date: 7th October 1999
Page Count: 394
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Table of Contents

G. Berthier and C. Barbier, Half a Century of Hybridization. S. Fliszár, V. Barone, and E.C. Vauthier, Core and Valence Electrons in Atom-by-Atom Descriptions of Molecules. C. Adamo, A. di Matteo, and V. Barone, From Classical Density Functionals to Adiabatic Connection Methods: The State of the Art. S. Liu, F. De Proft, A. Nagy, and R. Parr, Exchange-Energy Density Functionals as Linear Combinations of Homogeneous Functionals of Density. T. Marino, N. Russo, E. Sicilia, M. Toscano, and T. Minerva, Density Fucntional Computations and Mass Spectrometric Measurements: Can This Coupling Enlarge the Knowledge of Gas-Phase Chemistry. I. Baraldi, F. Momicchioli, G. Ponterini, and D. Vanoni, A Recent Development of the CS INDO Model: Treatment of Solvent Effects on Structures and Optical Properties of Organic Dyes. A. Rastelli, R. Gandolfi, and M.S. Amadè, Regioselectivity and Diastereosselectivity in the 1,3-Dipolar Cycloadditions of Nitrones with Acrylonitrile and Maleonitrile: The Origin of ENDO/EXO Selectivity. S. Morpurgo, M. Bossa, and G.O. Morpurgo, Solvent-Mediated Proton Transfer Reactions in Cytosine: An Ab-initio Study. W. Kutzelnigg and P. von Herigonte, Electron Correlation at the Dawn of the 21st Century. X. Li, I. Grabowski, K. Jankowski, and J. Paldus, Approximate Coupled Cluster Methods: Combined Reduced Multireference and Almost-Linear Coupled Cluster Methods with Singles and Doubles. I. Smeyers, The Half Projected Hartree Fock Model for Determining Singlet Excited States. C. Angeli, C. Rolando, and M. Suard, Complexation of Transition Metal Cations (Sc+, Fe+, Cu+) by One Cyanide Radical. A. Lami, A. Ferretti, and G. Villani, On the Photophysics of Molecules with Charge-Transfer Excitations Between Aromatic Rings. M. Di Donato, R. Borrelli, A. Capobianco, G. Monaco, R. Improta, M. Brahimi, and A. Peluso, Proton Assisted Electron Transfer. F. Santoro and C. Petrongolo, Lanczos Calculation of the X2A<->1/A2B<->2 Nonadiabatic Franck-Condon Absorption Spectrum of NO<->2. V. Aquilanti, G. Capecchi, and S. Cavalli, Hyperspherical Coordinates for Chemical Reaction Dynamics. R. McWeeny, On the Einstein-Podolsky-Rosen Paradox. Index.


Description

Advances in Quantum Chemistry publishes articles and invited reviews by leading international researchers in quantum chemistry. Quantum chemistry deals particularly with the electronic structure of atoms, molecules, and crystalline matter and describes it in terms of electron wave patterns. It uses physical and chemical insight, sophisticated mathematics and high-speed computers to solve the wave equations and achieve its results. Advances highlights these important, interdisciplinary developments.

Readership

Researchers in quantum chemistry, applied mathematics, biology, and physics; universities and industrial research and development groups working on biological molecules and new materials, such as semiconductor chips, polymers, and alloys.


Details

No. of pages:
394
Language:
English
Copyright:
© Academic Press 2000
Published:
Imprint:
Academic Press
eBook ISBN:
9780080582610
Hardcover ISBN:
9780120348367

Reviews

@from:Praise for the Series @qu:"Quantum chemistry has emerged as a subject in it own right. The appearance of a review publication which surveys recent achievements in the field is therefore very appropriate and, when it has the quality of this volume, is most welcome." @source:--PROCEEDINGS OF THE PHYSICAL SOCIETY @qu:"The juxtaposition of the oldest of quantum chemical studies, atomic structure, and one of the newest, quantum biology, highlights the importance of quantum theory in modern chemistry. Thus, having first opened the book in search of a particular article, the reader is stimulated to delve into fields of which he has but a superficial knowledge. In this way the book can be instrumental in broadening the interests and background of those who turn to it." @source:--THE ROYAL INSTITUTE OF CHEMISTRY


About the Serial Editors

John Sabin Serial Editor

John R. Sabin is Professor of Physics and Chemistry Emeritus at the University of Florida, and Adjungeret Professor at the University of Southern Denmark. He received the AB degree from Williams College in 1962 and the PhD from the University of New Hampshire in 1966. Thereafter he was a postdoctoral student at Uppsala University and at Northwestern University. He was Assistant Professor at the University of Missouri for three years (1968-1971) and then came to the University of Florida where he has been since.

Sabin’s research interest is in the theoretical description of the interaction of fast charged baryon projectiles with atomic and molecular targets, both as neutrals and ions. In this work, he uses molecular quantum mechanics to describe such interactions. In particular, he is interested in the mechanism of absorption of the projectile’s mechanical energy by the target, where it is mostly converted to electronic energy, which is measured by the target’s mean excitation energy. He has written some 250 articles in this and related fields.

Sabin is editor of Advances in Quantum Chemistry and has been editor of the International Journal of Quantum Chemistry. He has edited some 90 volumes and proceedings.

Affiliations and Expertise

Quantum Theory Project, University of Florida, Gainesville, FL, USA

Michael Zerner Serial Editor

Affiliations and Expertise

Quantum Theory Project, University of Florida, Gainesville, U.S.A.

Erkki Brandas Serial Editor

Erkki Brändas was born in Tampere, Finland in July1940 and was, as a Finnish war child, transported to Sweden in February 1942, finally adopted by his Swedish parents and given Swedish citizenship in 1947. He received his FL (PhD) in 1969 and Doctor of Philosophy (habilitation) in 1972, both at Uppsala University. Except for guest professorships in USA, Germany, Israel, he spent his professional career in Uppsala employed as Assistant- Associate- and Full Professor from 1975 until retirement in 2007. In addition to serving as chairman of the department of Quantum Chemistry, he was appointed Executive Director of the Uppsala Graduate School Advanced Instrumentation and Measurement supervising the doctoral education of 35 PhD’s from 1997-2007. He has served on various international scientific and editorial boards, e.g. Wiley, Elsevier and Springer including the service as Editor-in-Chief for the International Journal of Quantum Chemistry, Series Editor of the Advances in Quantum Chemistry. He is the current President of the International Society for Theoretical Chemical Physics, since 15 years, chairing a variety of international congresses and other numerous meetings, schools and workshops. He has published over 260 articles and edited more than 50 books on fundamental theoretical chemical physics from research on atoms, molecules and solid-state physics to complex enough systems in biology – from the microscopic realm to the cosmological rank.

Affiliations and Expertise

Uppsala University, Sweden

Alessandro Lami Serial Editor

Affiliations and Expertise

Institute of Quantum Chemistry, Pisa, Italy

Vincenzo Barone Serial Editor

Affiliations and Expertise

University Federico II, Naples, Italy

About the Editor-in-Chiefs

Per-Olov Lowdin Editor-in-Chief

Affiliations and Expertise

Quantum Chemistry Group, Uppsala University, Sweden, and Quantum Theory Project, University of Florida, Gainesville, U.S.A.