Propagating Insight: A Tribute to the Works of Yngve Ohrn

Erscheinungsjahr 1999
ISBN: 978-0-12-034835-0
Verlag: ACADEMIC PR INC

Buch, Englisch, Band 35, 380 Seiten, Format (B × H): 157 mm x 236 mm, Gewicht: 621 g

Reihe: Advances in Quantum Chemistry

Advances in Quantum Chemistry publishes articles and invited reviews by leading international researchers in quantum chemistry. Quantum chemistry deals particularly with the electronic structure of atoms, molecules, and crystalline matter and describes it in terms of electron wave patterns. It uses physical and chemical insight, sophisticated mathematics and high-speed computers to solve the wave equations and achieve its results. Advances highlights these important, interdisciplinary developments.

Zielgruppe

Researchers in quantum chemistry, applied mathematics, biology, and physics; universities and industrial research and development groups working on biological molecules and new materials (e.g. semiconductor chips, polymers, and alloys).

Autoren/Hrsg.

Brandas, Erkki J.

Brändas, Erkki J.

Sabin, John R.

Weitere Mitwirkende

Lowdin, Per-Olov

Sabin, John R.

Ortiz, Vincent

Kurtz, Henry

Fachgebiete

• Wirtschaftswissenschaften Wirtschaftssektoren & Branchen Primärer Sektor Agrarökonomie, Ernährungswirtschaft
• Naturwissenschaften Agrarwissenschaften Agrarwissenschaften Landwirtschaftliche Bewässerung
• Naturwissenschaften Chemie Physikalische Chemie Quantenchemie, Theoretische Chemie

Inhaltsverzeichnis

J. Linderberg, Yngve Öhrn, Scientist, Leader, and Friend. E. Deumens, Teaching Quantum Mechanics. J.V. Ortiz, Toward an Exact One-Electron Picture of Chemical Bonding. R.L. Longo, Spin Density Properties from the Electron Propagator: Hyperfine and Nuclear Spin-Spin Couplings. M.S. Deleuze and L.S. Cederbaum, The New Challenges of the Theory of Ionization for Polymers and Solids. B. Champagne, D.H. Mosley, J.G. Fripiat, and J.-M. André, Towards the Calculations of Polarizabilities of Stereoregular Polymers. C. Hättig and P. Jørgensen, Dispersion Coefficients for Second Hyperpolarizabilities Using Coupled Cluster Cubic Response Theory. H. Sekino and R.J. Bartlett, On the Extensivity Problem in Coupled-Cluster Property Evaluation. R. Cabrera-Trujillo, J.R. Sabin, J. Oddershede, and S.P.A. Sauer, The Bethe Sun Rule and Basis Set Selection in the Calculation of Generalized Oscillator Strengths. M.Ø. Jensen and A.E. Hansen, The Molecular Magnetic Shielding Field: Response Graph Illustrations of the Benzene Field. B. Weiner and S.B. Trickey, Time-Dependent Variational Principle in Density Functional Theory. J.L. Krause, Quantum Control in Semiconductor Heterostructures. V.K. Mishra and M.K. Mishra, Selective Photodynamic Control of Chemical Reactions: A Rayleigh-Ritz Variational Approach. J. Simons, Semi-Classical Pictures of Non-Adiabatic Induced Electron Ejection in Molecular Anions. D.A. Micha, Density Matrix Treatment of Electronic Rearrangement. S. Lunnell, J.W. Gauld, R.M. Kadam, Y. Itagaki, and A. Lund, Theoretical and Experimental Studies of the Benzene Radical Cation: Effects of Selective Deuteration. M.G. Cory, K.K. Stavrev, and M.C.Zerner, A Theoretical Study of the [Fe2(µ - S2)(P(o - C6H4S)3)2]2- Electronic Spectrum. Subject Index.

Über Autor(innen)

Brändas, Erkki J.
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.

Sabin, John R.
John R. Sabin is Professor of Physics and Chemistry Emeritus at the University of Florida, and Adjungeret Professor at the University of Southern Denmark. He received the AB degree from Williams College in 1962 and the PhD from the University of New Hampshire in 1966. Thereafter he was a postdoctoral student at Uppsala University and at Northwestern University. He was Assistant Professor at the University of Missouri for three years (1968-1971) and then came to the University of Florida where he has been since.
Sabin's research interest is in the theoretical description of the interaction of fast charged baryon projectiles with atomic and molecular targets, both as neutrals and ions. In this work, he uses molecular quantum mechanics to describe such interactions. In particular, he is interested in the mechanism of absorption of the projectile's mechanical energy by the target, where it is mostly converted to electronic energy, which is measured by the target's mean excitation energy. He has written some 250 articles in this and related fields.
Sabin is editor of Advances in Quantum Chemistry and has been editor of the International Journal of Quantum Chemistry. He has edited some 90 volumes and proceedings.