Del 0 - Progress in Theoretical Chemistry and Physics

New Trends in Quantum Systems in Chemistry and Physics

Volume 2 Advanced Problems and Complex Systems Paris, France, 1999

Häftad, Engelska, 2002

AvJ. Maruani,Christian Minot,R. McWeeny,Y.G. Smeyers,Stephen Wilson

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This is one of two volumes which together comprise about 40 papers from contributions to the fourth European Quantum Systems in Chemistry and Physics workshop. These books cover a broad spectrum of scientific research work from quantum-mechanical many-body methods to important applications and computational developments, and from atoms and molecules to condensed matter. This second volume covers the following topics: response theory; reactive collisions; and chemical reactions and condensed matter.

Produktinformation

Utgivningsdatum2002-05-31
Mått155 x 235 x 18 mm
Vikt499 g
FormatHäftad
SpråkEngelska
SerieProgress in Theoretical Chemistry and Physics
Antal sidor313
FörlagKluwer Academic Publishers
ISBN9781402004124

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Fysikalisk kemi inom Naturvetenskap och teknik

Response Theory: Properties and Spectra.- On Gauge Invariance and Molecular Electrodynamics.- Quantum Mechanics of Electro-Nuclear Systems Towards a Theory of Chemical Reactions.- Theoretical Study of Regularities in Atomic and Molecular Spectral Properties.- Excited States of Hydrogen Peroxide: An Overview.- On Electron Dynamics in Violent Cluster Excitations.- Relativistic Effects in Non-Linear Atom-Laser Interactions at Ultrahigh Intensities.- Reactive Collisions and Chemical Reactions.- Semiclassical Close-Coupling Description of Electron Transfer in Multicharged Ion-Atom Collisions.- Single and Double Electron Capture in Boron Collision Systems.- Theoretical Study of the Interaction of Carbon Dioxide with Sc, Ti, Ni, and Cu Atoms.- Condensed Matter.- Recurrent Variational Approach Applied to the Electronic Structure of Conjugated Polymers.- Effects of Solvation for (R,R) Tartaric-Acid Amides.- Interpretation of Vibrational Spectra in Electrochemical Environments from First-Principle Calculations: Computational Strategies.- Excited States in Metal Oxides by Configuration Interaction and Multireference Perturbation Theory.- Electrostatic Effects in the Heterolytic Dissociation of Hydrogen at Magnesium Oxide.- A DFT Study of CO Adsorption on NiII Ions 3-Fold Coordinated to Silica.- A Theoretical Study of Structure and Reactivity of Titanium Chlorides.- Phenomenological Description of D-Wave Condensates in High-Tc Superconducting Cuprates.