Topics in the Theory of Chemical and Physical Systems
Springer-Verlag New York Inc.
978-1-4020-5459-4 (ISBN)
Advanced Methodologies.- Literate many-body perturbation theory programming: Third-order“ring” diagrams.- Multicomponent many-body perturbation theory for the simultaneous description of electronic and nuclear motion: Towards a practical implementation using literate programming methods.- Renormalized coupled-cluster methods: Theoretical foundations and application to the potential function of water.- Hyperspherical and related types of coordinates for the dynamical treatment of three-body systems.- On the time-dependent solutions of the Schrödinger equation.- Interactions and Clusters.- An improved 6-D potential energy surface for ammonia.- A review on gold–ammonia bonding patterns.- Potential energy surfaces and dynamics of He n Br2 van der Waals complexes.- Theoretical treatment of charge transfer processes: From ion/atom to ion/biomolecule interactions.- Excited States and Condensed Matter.- Shell effects and homothetic expressions for electron relaxation and other corrections to 2p-core ionization energies and spin-orbit splitting for atoms from Cl to Ba.- On the role of electronic molecular states of high spin multiplicity.- Ab initio characterization of electronically excited metastable states of S2 -.- An extensive study of the prototypical highly silicon doped heterofullerene C30Si30.- Theoretical study of the magnetism in molecular crystals using a first-principles bottom-up methodol.
Erscheint lt. Verlag | 30.3.2007 |
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Reihe/Serie | Progress in Theoretical Chemistry and Physics ; 16 |
Zusatzinfo | XIV, 297 p. |
Verlagsort | New York, NY |
Sprache | englisch |
Maße | 155 x 235 mm |
Themenwelt | Naturwissenschaften ► Chemie ► Physikalische Chemie |
ISBN-10 | 1-4020-5459-9 / 1402054599 |
ISBN-13 | 978-1-4020-5459-4 / 9781402054594 |
Zustand | Neuware |
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