Advances in Quantum Chemistry

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.< br> < br> 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.

List 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 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

About the author

I was born in Springfield, Mass, and Educated at Williams College (BA) and the University of New Hampshire (PhD). Following that, I was a postdoctoral at Uppsala University in Sweden, and at Northwestern University in Evanston. For the past four decades, I have worked in the Quantum Theory Project, Department of Physics, at the University of Florida. My interests have always been in the theory of molecular electronic structure. More recently, I have been working on the interaction of fast particles, mostly protons and alpha particles, with proto-biological molecules, in terms of the transfer of energy from the projectile to the molecular target, and the outcome of that energy transfer. Such energy transfer is primarily electronic, and the initial electronic excitation results in target electronic and vibrational excitation, ionization, fragmentation, charge exchange, and other processes. The study of these processes, known as stopping power, has applications in fields from microelectronics to tumor therapy. The investigations are interesting and continue.

Product details

• Authors: Hawkes
• Assisted by: Per-olov Lowdin (Editor), Jack Sabin (Editor), John R. Sabin (Editor), Mike Zerner (Editor)
• Publisher: ELSEVIER SCIENCE BV
• Languages: English
• Product format: Hardback
• Released: 17.08.2001
• EAN: 9780120348398
• ISBN: 978-0-12-034839-8
• No. of pages: 381
• Series: Advances in Quantum Chemistry; Advances in Quantum Chemistry
• Subject: Natural sciences, medicine, IT, technology > Chemistry > Physical chemistry