Advances in Quantum Chemistry

A Tribute Volume in Honour of Professor Osvaldo Goscinski

Edited by

  • Erkki Brandas, Uppsala University, Sweden
  • Eugene Kryacho, Katholieke Universiteit Leuven, Belgium and Bogoliubov Institute for Theoretical Physics, Kiev, Ukraine

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.
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Quantum chemists, physical chemists, physicists.


Book information

  • Published: December 2004
  • ISBN: 978-0-12-034847-3

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 Dynamics (R. Cabrera-Trujillo et al.).
Generalized Electronic Diabatic Ansatz: A Post Born-Oppenheimer Approach to Electronuclear Dynamics in External Fields (O.Tapia, G.A Arteca).
The Quantum-Classical Density Operator for Electronically Excited Molecular Systems (D.A. Micha, B. Thorndyke).
The Generator Coordinate Method for Atomic and Molecular Systems: Revision and Further Developments (M. Trsic et al.).
Hybrid Quantum/Classical Dynamics Using Bohmian Trajectories (E. Gindensperger et al.).
The H&üuml;ckel Model of Polyacetylene Revisited: Asymptotic Analysis of Peierls Instability (G.L. Bendazzoli, S. Evangelisti).
Conjugated Polymers in External DC Fields (M. Springborg, Yi Dong).
Atoms, Molecules, Crystals and Nanotubes in Laser Fields: From Dynamical Symmetry to Selective High-Order Harmonic Generation of Soft X-Rays (O.E. Alon et al.).
Small Gold Clusters Au and Their Cationic and Anionic Cousins (F. Remacle, E.S. Kryachko).
Positron-Electron Annihilation in Hydrogen-Antihydrogen Collisions (P. Froelich et al.).