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: Progress in Theoretical Chemistry and Physics, cartea 16
Editat de Jean Maruani, Souad Lahmar, Gerardo Delgado-Barrioen Limba Engleză Hardback – 30 mar 2007
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Specificații
ISBN-13: 9781402054594
ISBN-10: 1402054599
Pagini: 311
Ilustrații: XIV, 297 p.
Dimensiuni: 155 x 235 x 18 mm
Greutate: 0.66 kg
Ediția:2007
Editura: SPRINGER NETHERLANDS
Colecția Springer
Seria Progress in Theoretical Chemistry and Physics
Locul publicării:Dordrecht, Netherlands
ISBN-10: 1402054599
Pagini: 311
Ilustrații: XIV, 297 p.
Dimensiuni: 155 x 235 x 18 mm
Greutate: 0.66 kg
Ediția:2007
Editura: SPRINGER NETHERLANDS
Colecția Springer
Seria Progress in Theoretical Chemistry and Physics
Locul publicării:Dordrecht, Netherlands
Public țintă
ResearchCuprins
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.
Textul de pe ultima copertă
Topics in the Theory of Chemical and Physical Systems is a collection of 14 selected papers from the scientific presentations made at the 10th European Workshop on Quantum Systems in Chemistry and Physics held at Carthage, Tunisia, in September 2005. This book encompasses a spectrum of topics in which emphasis is placed on theoretical methods in the study of chemical and physical properties of various systems:
- Advanced Methodologies
- Interactions and Clusters
- Excited States
- and Condensed Matter
Caracteristici
Unique insights into the fields of quantum chemical methods, molecular structure and spectroscopy, complexes and clusters Only carefully selected papers from the workshop Presents the most advanced methods, results and insights in quantum chemical methods, molecular structure and spectroscopy, complexes and clusters, and complex systems Includes supplementary material: sn.pub/extras