Recent Advances in the Theory of Chemical and Physical Systems [E-Book] / edited by JEAN-PIERRE JULIEN, JEAN MARUANI, DIDIER MAYOU, STEPHEN WILSON, GERARDO DELGADO-BARRIO.
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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Personal Name(s): | DELGADO-BARRIO, GERARDO. editor |
JULIEN, JEAN-PIERRE. editor / MARUANI, JEAN. editor / MAYOU, DIDIER. editor / WILSON, STEPHEN. editor | |
Imprint: |
Dordrecht :
Springer Netherlands,
2006
|
Physical Description: |
XI, 577 p. online resource. |
Note: |
englisch |
ISBN: |
9781402045288 |
DOI: |
10.1007/1-4020-4528-X |
Series Title: |
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Progress in Theoretical Chemistry and Physics ;
15 |
Subject (LOC): |
- 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.