International Society for Theoretical Chemical Physics

Advanced Topics in Theoretical Chemical Physics - Progress in Theoretical Chemistry and Physics International Society for Theoretical Chemical Physics 2004 edition

Marc Notes: This volume collects twenty selected papers from the scientific contributions presented at the Fourth Congress of the International Society for Theoretical Chemical Physics (ICTCP-IV) held at Marly-le-Roi, France, in July 9-16, 2002--P. xi; Includes bibliographical references and index. Table of Contents: Preface.- Foreword; "P.- G. de Gennes"," - "Obituary: Yves G. Smeyers (1931-2003). Part I: Advanced Chemical Thermodynamics. Dynamical roots of time symmetry breaking ("I." "Prigogine"").- "Non-Markovian quantum dissipation in the presence of external fields ("RuiXue Xu, Yan Mo, Ping Gui, Sheng-Hsien Lin, YiJing" "Yan"").- "Is the labyrinthine instability a first-order transition? ("J." "Richardi, M. P. Pileni"")."Part II: Electronic Structure of Molecular Systems. Electronic structure of atoms, molecules, and clusters: Hartree-Fock and beyond ("N. H. March"").- "Brillouin-Wigner expansions in quantum chemistry: Bloch-like and Lippmann-Schwinger-like equations ("S. Wilson, I. Hubac, P." "Mach, J. Pittner, P. Carsky"").- "New alternatives for electronic structure calculations: Renormalized, extended, and generalized coupled-cluster theories ("P. Piecuch, K. Kowalski, " "Peng-Dong Fan, I. S. O. Pimienta"").- "Physical principles of constructing hybrid QM/MM procedures ("A. L. Tchougreeff, A. M. Tokmachev).- "What is Resonance? ("M. A. Chaer Nascimento, A. U. Horta Barbosa"")."Part III: Molecular Interactions and Dynamics. Modeling quantum resonances: I. Dynamics of interacting resonances ("I. Paidorova, P. Durand"").- "Modeling quantum resonances: II. Overview of collision theory ("P." "Durand, I. Paidorova"").- "Non-Hermitian quantum mechanics: Theory and experiments not amenable to conventional QM ("E. Narevicius, N." "Moiseyev"").-" Non-adiabatic molecular dynamics: Quantum solvent effects ("O. V. Prezhdo, C. Brooksby"").-" Search for isotope effects in DeltaJ = 1 staggering patterns of diatomic molecules ("A. I. Kuleff, J. Maruani, " "P. P. Raychev"").- "Theoretical studies of heterogeneous reactions important in atmospheric ozone depletion ("R. Bianco, A. Al-Halabi, J. T. Hynes"")." Part IV: Condensed Matter. Spectra of foreign atoms in liquid helium: Current theoretical understanding ("B. Saha, P. K. Mukherjee, J." "Karwowski"").- "Deformed harmonic oscillators for metal clusters and Balian-Bloch theory ("D. Bonatsos, D. Lenis, P. P. Raychev, P. A." "Terziev"").-" Disorder effects and energy relaxation in quantum systems: One-dimensional Frenkel excitons in molecular aggregates ("J.-P." "Lemaistre"").-" Fractal properties of polymers on lattices ("B." "Bor tnik"")."Part V: Playing with Numbers. A Pythagorean approach to problems of periodicity in chemical and nuclear physics ("D. Weise"").- "Science and Music: from the music of the depths to the music of the spheres ("J. Maruani, R. Lefebvre, M. Rantanen"").- ""Index.""""Publisher Marketing:"Advanced Topics in Theoretical Chemical Physics"" "is a collection of 20 selected papers from the scientific presentations of the Fourth Congress of the International Society for Theoretical Chemical Physics (ISTCP) held at Marly-le-Roi, France, in July 2002. "Advanced Topics in Theoretical Chemical Physics" encompasses a broad spectrum in which scientists place special emphasis on theoretical methods in chemistry and physics. The chapters in the book are divided into five sections: I: Advances Chemical ThermodynamicsII: Electronic Structure of Molecular SystemsIII: Molecular Interaction and DynamicsIV: Condensed MatterV: Playing with Numbers This book is an invaluable resource for all academics and researchers interested in theoretical, quantum or statistical, chemical physics or physical chemistry. It presents a selection of some of the most advanced methods, results and insights in this exciting area. "Advanced Topics in Theoretical Chemical Physics" encompasses a broad spectrum in which scientists place special emphasis on theoretical methods in chemistry and physics. The chapters in the book are divided into five sections: I: Advances Chemical ThermodynamicsII: Electronic Structure of Molecular SystemsIII: Molecular Interaction and DynamicsIV: Condensed MatterV: Playing with Numbers This book is an invaluable resource for all academics and researchers interested in theoretical, quantum or statistical, chemical physics or physical chemistry. It presents a selection of some of the most advanced methods, results and insights in this exciting area.