New perspectives in quantum systems in chemistry and physics

Author(s)

• Sabin, John R.
• Brändas, Erkki
• Löwdin, Per Olov

Bibliographic Information

New perspectives in quantum systems in chemistry and physics

editors, John R. Sabin, Erkki Brändas ; founding editor, Per-Olov Löwdin ; guest editors, Erkki Brändas ... [et al.]

（Advances in quantum chemistry / edited by Per-Olov Löwdin, v.39-40）

Academic Press, c2001

• pt. 1
• pt. 2

Note

Includes bibliographical references and index

"The fifth European Workshop in the series was held in Uppsala, April 13-18, 2000, at Ihresalen, Teknikum, Uppsala University"--p. xxv

Description and Table of Contents

Volume

pt. 1 ISBN 9780120348398

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.

Table of 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 Moller-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

Volume

pt. 2 ISBN 9780120348404

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 39 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.

Table of Contents

Symbols in Science (Roy McWeeny). Some Mathematical Problems in the Description of Dissociating Molecules (Brian Sutcliffe). Recent Applications of Spin-Coupled Valence Bond Theory to Charge Transfer Collisions (D.L. Cooper et al.). AB Initio Program for Treatment of Related Systems. Transferable Quantities of Localized Molecular Orbitals (C. Kozmutza et al.). Thiouracils: Structures, Tautomerism, Interaction with Water, and Functioning in RNA and Modified DNA Base Pairs (E.S. Kryachko, Minh Tho Nguyen). Towards a Rigged Born-Oppenheimer Electronic Theory of Chemical Processes (O. Tapia). Was H-2 Observed in Solid H2? A Theoretical Answer (H.U. Suter et al.). D Parameter of the Morse Potential as a New Bond Index for Estimating Bond Breaking Energy in A Molecule (E.S. Apostolova). Effects of Halogen Substituents on the Conformations of Vinyl Alcohol and Vinyl Thiol: A Theoretical Study (Y. Girard, P. Chaquin). Localization of Energy Exchanges in Field-Assisted Double-Barrier Resonant Tunneling (C. Perez del Valle et al.). Spin Uncoupling in Chemical Reactions (B.F. Minaev, H. Agren). Assignment and Convergence of IR Spectra for a Sequence of Polypyridine Oligomers (P. Cronstrand, H. Agren). D-Wave Bipolaronic Condensate with Short Range Repulsive Electronic Correlations in an Extended Hubbard Model of High Tc Cuprate Superconductors (L.J. Dunne, E.J. Brandas). Orthogonalization of Vectors and Its Relation to Cognitive Phenomena (V. Srivastava). Binding in Clusters with Closed-Subshell Atoms (Alkaline-Earth Elements)(I.G. Kaplan et al.). Reproduction of Metal-Cluster Magic Numbers Using a q-Deformed, 3-Dimensional, Harmonic Oscillator Model (A. Kuleff et al.). Reaction Dynamics of Metallic Clusters Colliding with Atoms (Ulf Saalmann). Finite Element Three-Body Studies of Bound and Resonant States in Atoms and Molecules (T. Alferova et al.). A Computer Simulation of the Ring Puckering and Oxygen Wagging Dynamics in the S0 State of Cyclobutanone (D.C. Moule et al.). Finite-Difference Calculations for Atoms and Diatomic Molecules in Strong Magnetic and Static Electric Fields (M.V. Ivanov, P. Schmelcher).

by "Nielsen BookData"

Details

• NCID: BA52951654
• ISBN:
  • 012034839X
  • 0120348403
• Country Code: us
• Title Language Code: eng
• Text Language Code: eng
• Place of Publication: San Diego ; Tokyo
• Pages/Volumes: 2 v.
• Size: 24 cm
• Parent Bibliography ID:
  • BA00658464