Recent Advances in the Theory of Chemical and Physical Systems Proceedings of the 9th European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IX) held at Les Houches, France, in September 2004 /

Advances in the Theory of Chemical and Physical Systems Proceedings of the 9th European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IX) held at Les Houches, France, in September 2004 Pr J.-P. Julien, Dr J. Maruani, Pr D. Mayou, Dr S. Wilson, and Pr G. Delgado-Barrio Advances in the Th...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor Corporativo: SpringerLink (Online service)
Otros Autores: Julien, Jean-Pierre (Editor ), Maruani, Jean (Editor ), Mayou, Didier (Editor ), Delgado-Barrio, Gerard (Editor )
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Dordrecht : Springer Netherlands : Imprint: Springer, 2006.
Edición:1st ed. 2006.
Colección:Progress in Theoretical Chemistry and Physics, 15
Temas:
Physical chemistry.
Materials science.
Physical Chemistry.
Materials Science.
Acceso en línea:Texto Completo
Tabla de Contenidos:
  • Quantum Chemical Methods
  • THEORY AND COMPUTATION IN THE STUDY OF MOLECULAR STRUCTURE
  • COUPLED-CLUSTERANDCONFIGURATION-INTERACTION APPROACHES TO QUASIDEGENERACY
  • NONITERATIVE COUPLED-CLUSTER METHODS FOR EXCITED ELECTRONIC STATES
  • EXCITED STATE SELF-CONSISTENT FIELD THEORY USING EVEN-TEMPERED PRIMITIVE GAUSSIAN BASIS SETS
  • PRACTICABLE FACTORIZED TDLDA FOR ARBITRARY DENSITY- AND CURRENT-DEPENDENT FUNCTIONALS
  • INEQUALITIES RELATING THE ELEMENTS OF THE SECOND-ORDER REDUCED DENSITY MATRIX
  • STRUTINSKY'S SHELL-CORRECTION METHOD IN THE EXTENDED KOHN-SHAM SCHEME: APPLICATIONTOTHE IONIZATION POTENTIAL, ELECTRON AFFINITY, ELECTRONEGATIVITY AND CHEMICAL HARDNESS OF ATOMS
  • GENERALIZED DIABATIC STUDY OF ETHYLENE "ISOMERISM"
  • Relativistic and Heavy-Element Systems
  • PROGRESS WITH BERTHA: A RELATIVISTIC ATOMIC AND MOLECULAR STRUCTURE PACKAGE
  • NON-STANDARD REPRESENTATIONS OF THE DIRAC EQUATION AND THE VARIATIONAL METHOD
  • GENERALIZED RECPACCOUNTING FOR BREIT EFFECTS: URANIUM, PLUTONIUM AND SUPERHEAVY ELEMENTS 112, 113, 114
  • P,T-PARITYVIOLATIONEFFECTS INPOLARHEAVY-ATOM MOLECULES
  • QED CALCULATION OF HEAVY MULTICHARGED IONS WITH ACCOUNT FOR CORRELATION, RADIATIVE AND NUCLEAR EFFECTS
  • QUANTUM CALCULATION OF COOPERATIVE MUON-NUCLEAR PROCESSES: DISCHARGE OF METASTABLE NUCLEI DURING NEGATIVE MUON CAPTURE
  • COMPUTER SIMULATIONS IN HEAVY PARTICLE COLLISIONS
  • Complexes and Clusters
  • STUDY OF INTERACTION ABILITIES USING AN ENERGY PARTITIONING SCHEME IN SOME WATER CLUSTERS
  • ABINITIO VAN DERWAALS POTENTIAL ENERGYSURFACES APPLICATION TO COMPLEXES OF BROMINE MOLECULE WITH HELIUM ATOMS
  • ONE-ELECTRON PSEUDO-POTENTIAL INVESTIGATION OF Na(3p2P)Arn CLUSTERS: ELECTRONICALLY EXCITED ISOMERS AND EMISSION SPECTRA
  • UNDERSTANDING CHEMICAL REACTIONS INVOLVING NON-ADIABATIC TRANSITIONS: PREDISSOCIATION OF THE ELECTRONICALLY EXCITED Li-HF COMPLEX
  • DENSITY FUNCTIONAL STUDIES OF NOBLE METAL CLUSTERS. ADSORPTION OF O2 AND CO ON GOLD AND SILVER CLUSTERS
  • THREE-GOLD CLUSTER AS PROTON ACCEPTOR IN NONCONVENTIONAL HYDROGEN BONDS O-H...Au AND N-H...Au
  • MOLECULAR MODELLING OF METAL COMPLEXES WITH OPEN d-SHELL
  • Complex Systems
  • AB-INITIO GUTZWILLER METHOD: FIRST APPLICATION TO PLUTONIUM
  • AB-INITIO QUANTUM DIFFUSION IN QUASICRYSTALS
  • TOWARDS NANOSTRUCTURED MATERIALS: AN EXAMPLE OF BORON NANOTUBES
  • STOCHASTICOPTIMIZATION METHODS FOR PROTEIN FOLDING.

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