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 | ADVANCES IN QUANTUM CHEMISTRY, 39
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Per-Olov Lowden, Quantum Chemistry Group, Uppsala University, Sweden, and Quantum Theory Project, University of Florida, Gainesville, U.S.A.
John Sabin, Quantum Theory Project, University of Florida, USA
Michael Zerner, Quantum Theory Project, University of Florida, Gainesville, U.S.A.
Erkki Brandas, Uppsala University, Sweden
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 and Volume 40 will be thematic volumes based on the proceedings of the Fifth European Workshop on Quantum Systems in Chemistry
and Physics which was held April 13-18, 2000, in Uppsala, Sweden. We published the proceedings from a previous meeting in 1998. See Volumes
31 and 32.
Audience
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.
Contents
Density Matrices and Phase-Space Functions
Jens Peder Dahl
Correlation Corrected Hartree-Fock and Density Functional Computations on
Periodic Polymers
Janos Ladik, Ferenc Bogar, and Vick Van Doren
Effective Potential of a Single Excited State Along the Adiabatic Path
A. Nagy
Gradient Corrections to the Kinetic-Energy Density Functional Stemming from a Regular Two-Component Relativistic Hamiltonian
P. Tz. Yotov, F. E. Zakhariev, Ya. I. Delchev, and J. Maruani
An Attempt to Release the Constrained Search Approach in the Density Functional
Theory
Boris P. Zapol
Sturmian Expansions for Quantum Mechanical Many-Body Problems, and Hyperspherical Harmonics
Vincenzo Aquilanti
and John Avery
The A+BC Reaction by the Hyperqantization Algorithm: the Symmetric Hyperspherical Parametrization for J > 0
Vincenzo
Aquilanti, Simonetta Cavalli, Dario De Fazio, and Alessandro Volpi
Distributed Gaussian Basis Sets: Variationally Optimized S-Type Sets
V. N. Glushkov and Stephen Wilson
Similarities in the Rydberg Spectra of the Isovalent Radicals CH3 and SiH3
I. Martin, A. M. Velasco,
and C. Lavin
Theoretical Study of Charge Transfer Mechanism in N4 + He Collisions at keV Energies
Y. S. Tergiman and M. C. Bacchus-Montabonnel
Intermediate Hamiltonian Fock-Space Coupled-Cluster Method
Arie Landau, Ephraim Eliav, and Uzi Kaldor
Full CI Solution of Perturbative
Equations
Gian Luigi Bendazzoli and Stefano Evangelisti
On the Generalized Brillouin-Wigner Perturbation Theory and the Many-Body Problem
I. Hubac and Stephen Wilson
Multireference Brillouin-Wigner Methods for Many-Body Systems
I. Hubac, P. Mach, and Stephen Wilson
The
Dirac Equation in the Algebraic Approximation VII: A Comparison of Molecular Finite Difference and Finite Basis Set Calculations Using
Distributed Gaussian Basis Sets
Harry M. Quiney, V. N. Glushkov, and Stephen Wilson
Relativistic Multireference M?ller-Plesset Perturbation
Theory Calculations for the Term Energies and Transition Probabilities of Ions in the Nitrogen Isoelectronic Sequence
Marius Jonas Vilkas
and Yasuyuki Ishikawa
Reduced Density-Matrix Treatment of Spin-Spin Interaction Terms in Many-Electron Systems
R. L. Pavlov, A. I.
Kuleff, P. Tz. Yotov, and J. Maruani
A Method of Combined Treatment for the Evaluation of Core Excitation Energies in Molecules Involving
Heavy Atoms: Application to CrF6, MoF6, and WF6
J. Maruani, A. Khoudir, A. Kuleff, M. Tronc, G. Giorgi, and C. Bonnelle
Spectroscopic
Constants of Pb and Eka-lead Compounds: Comparison of Different Approaches
Wenjian Liu, ChristophVan Wullen, Young Kyu Han, Yoon Jeong
Choi, and Yoon Sup Lee
Floquet States and Operator Algebra
V. M. Leon, M. Martin, L. Sandoval, and A. Palma
Index
| Bibliographic details |
Hardbound, 381 pages, publication date: JUL-2001
ISBN-13: 978-0-12-034839-8
ISBN-10: 0-12-034839-X
Imprint: ACADEMIC PRESS
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Last update: 27 Sep 2008
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