Bonding in the perchlorate anion and radical (J. Linderberg).
Cauchy moments of Ne, Ar, and Kr atoms calculated using the approximate coupled cluster triples model CC3 (F. Pawłowski and Poul Jorgensen).
Density of states and transmission in molecular transport junctions (Z. Bihary, M.A. Ratner).
GW method for extended, periodic systems with a mixed slater-orbital/plane-wave basis and fourier transform techniques (H.J. Monkhorst).
Orientational effects in energy deposition by protons in water (R. Cabrera-Trujillo et al.).
Low-lying excited states of the hydrogen molecule in cylindrical harmonic confinement (J.M.H. Lo, M. Klobukowski).
Interplay of classical and quantum mechanics in the theory of charged-particle stopping (P. Sigmund).
Elliptic functions of the worst kind: non-linear quantization of the classical spherical pendulum (J.W. Perram, R. Smith).
Theoretical NMR nJ(13C,13C) scalar couplings as probes to study diamagnetic ring currents in fullerenes (R.H. Contreras et al.).
The dipole polarizability of F-in aqueous solution. A sequential Monte Carlo/Quantum Mechanics study (S. Canuto et al.).
In search for the negative polarizabiliy states-the EF 1&Sgr;g1 state of hydrogen molecule (J. Komasa).
On the usage of locally dense basis sets in the calculation of NMR indirect nuclear spin-spin coupling constants: vicinal fluorine-fluorine couplings (M. Sanchez et al.).
Calculations of dipole and quadrupole polarizability radial func
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.
This volume is dedicated to Jens Oddershede, to celebrate his sixtieth birthday. As the title suggests he viewed quantum chemistry as an adventure and not a job. He is still an active participant in theoretical chemistry and presently among the most cited scientists at the University of Southern Denmark. He is perhaps best known for his success in developing the polarization propagator formalism and applying it to the calculation of various response properties of molecules.
The volume is made up of contributions from friends and collaborators, papers within the volume being sorted by when the contributor first published with Jens Oddershede rather than by subject matter.
Quantum chemists, physical chemists, physicists.
- No. of pages:
- © Academic Press 2005
- 12th July 2005
- Academic Press
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@qu: The target audience for this book is primarily quantum chemists and most of the articles in this volume assume prior familiarity with quantum chemical concepts and notation. Some among us will find this volume so useful that you will want to buy a personal desk copy. If you know what a polarization propagator is, then you might be in this group. If learning more about powerful tools for modeling molecular spectra and related response properties sounds interesting or useful to you, then you may wish to buy this volume." @source: J.AM. CHEM. SOC, Vol, 128, no.10, 2006, Paul W. Ayers, McMaster University
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.
Quantum Theory Project, University of Florida, Gainesville, FL, USA