Jens Oddershede - adventurer in quantum chemistry
Author(s)
Bibliographic Information
Jens Oddershede - adventurer in quantum chemistry
（Advances in quantum chemistry / edited by Per-Olov Löwdin, v. 48）
Elsevier, c2005
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Description and Table of Contents
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, 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.
Table of Contents
Selected contents Density of states and transmission in molecular transport junctions. Orientational effects in energy deposition by protons in water. Elliptic functions of the worst kind: non-linear quantization of the classical spherical pendulum. On the usage of locally dense basis sets in the calculation of NMR indirect nuclear spin-spin coupling constants: vicinal fluorine-fluorine couplings. Calculations of dipole and quadrupole polarizability radial functions for LiH and HF: A comparison of different linear response methods. Dunham's formalism applied in reduction of spectral data of diatomic molecules and the development of computational spectrometry. From the orbital implementation of the kinetic theory to the polarization propagator method in the study of energy deposition problems. Magnetic balance and explicit diamagnetic expressions for nuclear magnetic resonance shielding tensors. Excitation energies for transition metal atoms-a comparison between coupled cluster methods and second order perturbation theory. A reinvestigation of Ramsey's theory of NMR coupling.
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