Title Topics in the theory of chemical and physical systems : proceedings of the 10th European Workshop on Quantum Systems in Chemistry and Physics held at Carthage, Tunisia, in September 2005 / edited by Souad Lahmar [and others]

Published Dordrecht ; London : Springer, 2007

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Description 1 online resource (xiv, 296 pages) : illustrations Series Progress in theoretical chemistry and physics ; v. 16 Progress in theoretical chemistry and physics ; v. 16. Contents Cover -- Contents -- Preface -- Obituary -- Raymond Daudel (1920-2006) -- Part I: Advanced Methodologies -- Literate many-body perturbation theory programming: Third-order "ring" diagrams -- Multicomponent many-body perturbation theory for the simultaneous description of electronic and nuclear motion: Towards a practical implementation using literate programming methods -- Renormalized coupled-cluster methods: Theoretical foundations and application to the potential function of water -- Hyperspherical and related types of coordinates for the dynamical treatment of three-body systems -- On the time-dependent solutions of the Schrèodinger equation -- Part II: Interactions and Clusters -- An improved 6-D potential energy surface for ammonia -- A review on gold-ammonia bonding patterns -- Potential energy surfaces and dynamics of HenBr2 van der Waals complexes -- Theoretical treatment of charge transfer processes: From ion/atom to ion/biomolecule interactions -- Part III: Excited States and Condensed Matter -- Shell effects and homothetic expressions for electron relaxation and other corrections to 2p-core ionization energies and spin-orbit splitting for atoms from Cl to Ba -- On the role of electronic molecular states of high spin multiplicity -- Ab initio characterization of electronically excited metastable states of S₂ -- An extensive study of the prototypical highly silicon doped heterofullerene C₃₀Si₃₀30 -- Theoretical study of the magnetism in molecular crystals using a first-principles bottom-up methodology -- Index -- Last Page Summary Topics in the Theory of Chemical and Physical Systems is a collection of 14 selected papers from the scientific presentations made at the 10th European Workshop on Quantum Systems in Chemistry and Physics held at Carthage, Tunisia, in September 2005. This book encompasses a spectrum of topics in which emphasis is placed on theoretical methods in the study of chemical and physical properties of various systems: Advanced Methodologies Interactions and Clusters Excited States and Condensed Matter This volume is an invaluable resource for all academics and researchers interested in theoretical, quantum or computational chemistry, physical chemistry and chemical physics, particularly molecular structure and spectroscopy, interactions and complexes. It presents a selection of some of the most advanced methodologies, results and insights in these various areas Analysis Physical systems chemie chemistry materialen materials fysische chemie physical chemistry kernfysica nuclear physics materiaalkunde materials science quantumfysica quantum physics computationele chemie computational chemistry Chemistry (General) Chemie (algemeen) Notes Selected conference papers Bibliography Includes bibliographical references and index Notes English Print version record In OhioLINK electronic book center SpringerLink Subject Quantum chemistry -- Congresses Chemistry. Quantum theory. Chemistry Quantum Theory chemistry. SCIENCE -- Chemistry -- Physical & Theoretical. Science des matériaux. Chimie. Quantum chemistry Genre/Form proceedings (reports) Conference papers and proceedings Conference papers and proceedings. Actes de congrès. Form Electronic book Author Maruani, Jean, 1937- Lahmar, Souad, editor LC no. 2007464059 ISBN 9781402054600 1402054602 9781402054594 1402054599 661081645X 9786610816453

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