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Produktbild: Recent Advances in the Theory of Chemical and Physical Systems
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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

Aus der Reihe Progress in Theoretical Chemistry and Physics
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Beschreibung

Produktdetails

Einband

Taschenbuch

Erscheinungsdatum

28.10.2014

Abbildungen

XI, 577 p.

Herausgeber

Jean-Pierre Julien + weitere

Verlag

Springer Netherland

Seitenzahl

577

Maße (L/B/H)

23,5/15,5/3,2 cm

Gewicht

879 g

Auflage

1. Auflage

Sprache

Englisch

ISBN

978-94-007-8859-6

Beschreibung

Produktdetails

Einband

Taschenbuch

Erscheinungsdatum

28.10.2014

Abbildungen

XI, 577 p.

Herausgeber

Verlag

Springer Netherland

Seitenzahl

577

Maße (L/B/H)

23,5/15,5/3,2 cm

Gewicht

879 g

Auflage

1. Auflage

Sprache

Englisch

ISBN

978-94-007-8859-6

Herstelleradresse

Springer-Verlag KG
Sachsenplatz 4-6
1201 Wien
AT

Email: GPSR Kontakt

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  • Produktbild: Recent Advances in the Theory of Chemical and Physical Systems
  • 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.