Format:
Online-Ressource
Edition:
Online-Ausg. 2007 Springer eBook Collection. Chemistry and Materials Science Electronic reproduction; Available via World Wide Web
ISBN:
9781402054600
Series Statement:
Progress in theoretical chemistry and physics 16
Content:
This volume contains a selection of papers presented at the 10th European Workshop on Quantum Systems in Chemistry and Physics, held in Tunisia, from September 1st to 7th, 2005. The workshop's aim was to bring together chemists and physicists with a common interest in the quantum-mechanical many-body problem. The volume offers unique insights into the fields of quantum chemical methods, molecular structure and spectroscopy, complexes and clusters.
Content:
The workshop's aim was to bring together chemists and physicists with a common interest in the quantum-mechanical many-body problem, in order to foster conceptual and methodological development for the understanding of the structure, dynamics and properties of atoms, molecules, and the solid state. This underpins many of the new emerging fields of science and technology: molecular engines, nanomaterials, responsive structural materials, synthetic bio-materials, drugs, and so on. Among the themes discussed at this forum were such advanced topics as hyperspherical coordinates in the dynamical treatment of three-body systems, multicomponent many-body methods in the simultaneous description of electronic and nuclear motion, structure and dynamics of metal, non-metal, and ion-molecule complexes, shell effects in core ionization energies, high spin multiplicity electronic states, and the magnetism of molecular crystals.
Note:
Includes bibliographical references and index
,
Selected conference papers
,
Front Matter; 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
,
An improved 6-D potential energy surface for ammoniaA 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; 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 C30Si30Theoretical study of the magnetism in molecular crystals using a first-principles bottom-up methodol; Back Matter
,
Electronic reproduction; Available via World Wide Web
Additional Edition:
ISBN 9781402054594
Additional Edition:
Erscheint auch als Druck-Ausgabe Topics in the theory of chemical and physical systems Dordrecht : Springer, 2007 ISBN 1402054599
Additional Edition:
ISBN 9781402054594
Language:
English
Subjects:
Chemistry/Pharmacy
Keywords:
Dissipatives Quantensystem
;
Quantenchemie
;
Quantenphysik
;
Kongress
;
Konferenzschrift
DOI:
10.1007/978-1-4020-5460-0
URN:
urn:nbn:de:1111-200708026634
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