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• Hoggan, Philip E. - Advances in the theory of quantum systems in chemistry and physics. 22

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The book will contain about 20 selected contributions based on presentations given at the 15th International Workshop on Quantum Systems in Chemistry and Physics, to be held at Cambridge, England, in September 2010 (see http://qscp-xv.ensicaen.fr/). The book will be divided into a few sections, each containing the most relevant papers written by leaders of the respective fields on related topics. They will discuss state-of-the-art developments in the Theory of Quantum Systems in Chemistry and Physics. This is a book of proceedings and its contents will depend on the scientists who will attend the meeting and provide research or review papers accepted for publication. A provisional list of speakers can be found on the workshop web site: http://qscp-xv. ensicaen.fr/index.php. The detailed table of contents will be provided at a later date. Discusses state-of-the-art developments in the Theory of Quantum Systems in Chemistry and Physics. A collection of 32 selected contributions from leading experts in the field of Quantum Systems in Chemistry and Physics. Aimed at a wide spectrum of theoretical and computational chemists and physicists.

   INDICE: Time Asymmetry and the Evolution of Physical Laws. Spatially-Dependent-Mass Schrödinger Equations with Morse Oscillator Eigenvalues: Isospectral Potentials and Factorization Operators. Relativistic Theory of Cooperative Muon-Nuclear Processes: Negative Muon Capture and Metastable Nucleus Discharge. Two-Range Addition Theorem for Coulomb Sturmians. Why Specific ETOs are Advantageous for NMR and Molecular Interactions. Progress in Hylleraas-CI Calculations on Boron. Structural and Electronic Properties of Polonium under Hydrostatic Pressure. Complexity Analysis of the Hydrogenic Spectrum in Strong Fields. Atomic Density Functions: Atomic Physics Calculations Analyzed with Methods from Quantum Chemistry. Understanding Maximum Probability Domains with Simple Models. Density Scaling for Excited States. Finite Element Method in DFT Electronic Structure Calculations. Shifts in Excitation Energies Induced by Hydrogen Bonding: A Comparison of the Embedding and Supermolecular Time-Dependent DFT Calculations with the Equation-of-Motion Coupled-Cluster Results. Multiparticle Distribution of Fermi Gas System in Any Dimension. Hierarchical Effective-Mode Approach for Extended Molecular Systems. Short-Time Dynamics through Conical Intersections in Macro-systems: Quadratic Coupling Extension. Theoretical Methods for Nonadiabatic Dynamics “on the fly” in Complex Systems and its Control by Laser Fields. A Survey on Reptation Quantum Monte Carlo. Quantum Monte Carlo Calculations of Electronic Excitation Ener-gies: the Case of the Singlet n ? ?? (CO) Transition in Acrolein. Analysis of the Charge-Transfer Mechanism in Ion-Molecule Collisions. Recombination by Electron Capture in the Interstellar Medium. Systematic Exploration of Chemical Structures and Reaction Pathways on the Quantum Chemical Potential Energy Surface by Means of the Anharmonic Downward Distortion-Following Method. Neutral Hydrolysis of Methyl Formate from Ab-initio Potentials and Molecular Dynamics Simulation. Radial Coupling and Adiabatic Correction for the LiRb Molecule. Centre-of-Mass Separation in Quantum Mechanics: Implications for the Many-Body Treatment in Quantum Chemistry and Solid-State Physics. Anti-Adiabatic State - Ground Electronic State of Superconductors. Delocalization Effects in Pristine and Oxidized Graphene Substrates. A Review of Bonding in Dendrimers and Nano-Tubes. 20-Nanogold Td and Low-Energy Hollow Cages: Void Reactivity. A Theoretical Study of Complexes of Crown Ethers with Substituted Ammonium Cations. Systematic Derivation and Testing of AMBER Force Field Parameters for Fatty Ethers from Quantum Mechanical Calculations. Theoretical Studies on Metal-Containing Artificial DNA Bases.

Detalles del artículo

• Páginas : 799
• Editorial : Springer Netherlands
• Idioma : Inglés
• Fecha de Publicación : 08/09/2011
• ISBN: 9789400720756
• Serie: Progress in theoretical chemistry and physics
• Encuadernación : Cartoné
• Nº Volúmenes : 1
• País de Publicación : Holanda