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, and chemistry. With invited reviews written by leading international researchers, as well as regular thematic issues, each volume presents new results and provides a single vehicle for following progress in this interdisciplinary area.
Volume 47 is a tribute in honor of Professor Osvaldo Goscinski. The volume will look at the accomplishments of a man who has led a remarkable development within the field and developed and strengthened scientific networks in Quantum Chemistry and Chemical Physics.

Key Features

* Provides a tribute in honor of Professor Osvaldo Goscinski, a man who has led a remarkable development within the field

Readership

Quantum chemists, physical chemists, physicists.

Table of Contents

Development of Chiral Catalysts for Stereoselective Synthesis by Deprotonations – Experimentation in Interplay with Computational Chemistry (Sten O. Nilsson Lill et al.).
Proton Insertion in Polycrystalline WO3 Studied with Electron Spectroscopy and Semiempirical Calculations (A. Henningsson et al.).
On the Effects of Spin-Orbit Coupling on Molecular Properties: Dipole Moment and Polarizability of PbO and Spectroscopic Constants for the Ground and Excited States B. O. Roos, P.-Å Malmqvist).
Is There a Favorite Isomer for Hydrogen-Bonded Methanol in Water? (E.E. Fileti et al.).
Validation of the Applicability of Force Fields to Reproduce Ab Initio Noncovalent Interactions Involving Aromatic Groups in Proteins (G. Duan et al.).
Are Jordan Blocks Necessary for the Interpretation of Dynamical Processes in Nature? (E.J. Brändas).
Antisymmetrized Geminal Power Coherent States (B. Weiner).
Current Methods for Coulomb Few-Body Problems (F.E. Harris).
Atomic Densities, Polarizabilities, and Natural Orbitals Derived from Generalized Sturmian Calculations (J. Avery et al.).
Electric Field Gradient Effects on Magnetic Susceptibility (P. Lazzeretti).
Singularity Structure of M&øslash;ller-Plesset Perturbation Theory (D.Z. Goodson, A.V. Sergeev).
Approximate Inclusion of the T3 and R3 Operators in the Equation-of-Motion Coupled Cluster Method (M. Musial et al.).
Operator Algebra: From Franck-Condon to Floquet Theory (A. Palma).
On the Alleged Nonlocal and Topological Nature of the Molecular Aharonov-Bohm Effect (E. Sjöqvist).
Calculation of Cross Sections in Electron-Nuclear Dyn

Details

No. of pages:
550
Language:
English
Copyright:
© 2004
Published:
Imprint:
Academic Press
eBook ISBN:
9780080560625
Print ISBN:
9780120348473
Print ISBN:
9780123917805

About the editors

Erkki Brandas

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

Eugene Kryacho

Affiliations and Expertise

Katholieke Universiteit Leuven, Belgium and Bogoliubov Institute for Theoretical Physics, Kiev, Ukraine