- Electronic ISBN 9780080953151
- Print ISBN 9780120348480
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.
2. Cauchy moments of Ne, Ar, and Kr atoms calculated using the approximate coupled cluster triples model CC3 (F. Pawłowski and Poul Jorgensen).
3. Density of states and transmission in molecular transport junctions (Z. Bihary, M.A. Ratner).
4. GW method for extended, periodic systems with a mixed slater-orbital/plane-wave basis and fourier transform techniques (H.J. Monkhorst).
5. Orientational effects in energy deposition by protons in water (R. Cabrera-Trujillo et al.).
6. Low-lying excited states of the hydrogen molecule in cylindrical harmonic confinement (J.M.H. Lo, M. Klobukowski).
7. Interplay of classical and quantum mechanics in the theory of charged-particle stopping (P. Sigmund).
8. Elliptic functions of the worst kind: non-linear quantization of the classical spherical pendulum (J.W. Perram, R. Smith).
9. Theoretical NMR nJ(13C,13C) scalar couplings as probes to study diamagnetic ring currents in fullerenes (R.H. Contreras et al.).
10. The dipole polarizability of F-in aqueous solution. A sequential Monte Carlo/Quantum Mechanics study (S. Canuto et al.).
11. In search for the negative polarizabiliy states-the EF 1&Sgr;
12. 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.).
13. Calculations of dipole and quadrupole polarizability radial func
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- © 2005
- 12th July 2005
- Academic Press
- Electronic ISBN:
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