Buch, Englisch, 450 Seiten, Format (B × H): 165 mm x 240 mm
Jens Oddershede - Adventurer in Quantum Chemistry
Buch, Englisch, 450 Seiten, Format (B × H): 165 mm x 240 mm
ISBN: 978-0-12-034848-0
Verlag: Elsevier Science & Technology
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.
Fachgebiete
Weitere Infos & Material
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.
