Topics in the Theory of Chemical and Physical Systems

Proceedings of the 10th European Workshop on Quantum Systems in Chemistry and Physics held at Carthage, Tunisia, in September 2005

AvJean Maruani,Souad Lahmar

Inbunden, Engelska, 2007

Del i serien Progress in Theoretical Chemistry and Physics

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Beskrivning

This volume contains a representative selection of papers presented at the Tenth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-X), held at Beït al-Hikma, seat of the Académie Tunisienne des Sciences, des Arts et des Lettres, in Carthage, Tunisia, September 1-7, 2005.

Produktinformation

Utgivningsdatum:2007-03-30
Mått:155 x 235 x 23 mm
Vikt:635 g
Format:Inbunden
Språk:Engelska
Serie:Progress in Theoretical Chemistry and Physics
Antal sidor:297
Förlag:Springer-Verlag New York Inc.
ISBN:9781402054594

Utforska kategorier

Fysikalisk kemi inom Naturvetenskap och teknik

Innehållsförteckning

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.