Bøger i Progress in Theoretical Chemistry and Physics serien

This volume records the proceedings of a Forum on The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State held at the Coseners' House, Abingdon-on-Thames, Oxon.

Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance.

This book aims to illustrate and discuss the subject of heterogeneous catalysis and to show the current capabilities of the theoretical and computational methods for studying the various steps (diffusion, adsorption, chemical reaction) of heterogeneous catalytic process involving zeolites, metal oxides, and transition metal surfaces.

A collection of 33 selected papers from the scientific contributions presented at the 16th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XVI), held at Ishikawa Prefecture Museum of Art in Kanazawa, Japan, from September 11th to 17th, 2011.

In this volume we have collected some of the contributions made to the Twelfth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-XII) in 2007.

This is a self-contained advanced review offering step by step derivation of the consistent theoretical picture of hybrid modeling methods and the thorough analysis of the concepts and current practical methods of hybrid modeling based on this theory.

This book discusses the Jahn-Teller effect and vibronic interactions, addressing such topics as complex topologies of Jahn-Teller effect and conical intersections; multi-state vibronic interactions on strongly coupled potential energy surfaces and more.

EPR of Free Radicals in Solids: Trends in Methods and Applications, 2nd ed.

Advances in the Theory of Chemical and Physical Systems is a collection of 26 selected papers from the scientific presentations made at the 9th European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IX) held at Les Houches, France, in September 2004.

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.

It is an indisputable fact that computational physics form part of the essential landscape of physical science and physical education. Like the 'traditional partners' experimental physics and theoretical physics, computational physics is not restricted to a special area, e.

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.

The techniques in use range from classical studies of new Generalized Langevin Equations, semicl- sical studies for non-adiabatic chemical reactions in condensed phase, mixed quantum classical studies of biological systems, to fully quantum studies of m- els of condensed phase environments.

These two volumes collect forty-four selected papers from the scientific contributions presented at the Third European Workshop on Quantum Systems in Chemistry and Physics, held in Granada (Spain), April 19-22, 1998.

Presenting recent developments that offer fresh insights into the structure, properties, and behavior of atomic and molecular systems, this volume covers quantum dynamics and spectroscopy, complexes and clusters, and nanostructures and complex systems.

This volume presents recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems.

This volume records the proceedings of a Forum on The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State held at the Coseners' House, Abingdon-on-Thames, Oxon.

Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance.

These two volumes together comprise forty papers coming from the most outstanding contributions to the third European Quantum Systems in Chemistry and Physics Workshop held in Granada, Spain (1997).

There has been a growing interest in relativistic quantum chemical methods and the associated computational algorithms which facilitate their application. This book provides a detailed description of the application of relativistic quantum mechanics to the many-body problem in the theoretical chemistry and physics of heavy and superheavy elements.

This is a self-contained advanced review offering step by step derivation of the consistent theoretical picture of hybrid modeling methods and the thorough analysis of the concepts and current practical methods of hybrid modeling based on this theory.

These two volumes collect thirty-eight selected papers from the scientific contributions presented at the Fourth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IV), held in Marly-le-Roi (France) in April 22-27, 1999.

Explores the connections between the theory of hyperspherical harmonics, momentum-space quantum theory, and generalized Sturmian basis functions. This book introduces methods which may be used to solve many-particle problems directly, without the use of the self-consistent-field approximation.

It is an indisputable fact that computational physics form part of the essential landscape of physical science and physical education. Like the 'traditional partners' experimental physics and theoretical physics, computational physics is not restricted to a special area, e.

Advances in the Theory of Chemical and Physical Systems is a collection of 26 selected papers from the scientific presentations made at the 9th European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IX) held at Les Houches, France, in September 2004.

This book aims to illustrate and discuss the subject of heterogeneous catalysis and to show the current capabilities of the theoretical and computational methods for studying the various steps (diffusion, adsorption, chemical reaction) of heterogeneous catalytic process involving zeolites, metal oxides, and transition metal surfaces.

Explores the connections between the theory of hyperspherical harmonics, momentum-space quantum theory, and generalized Sturmian basis functions. This work introduces methods, and the method of many-electron Sturmians offers an alternative to the usual SCF-CI methods for calculating atomic and molecular structure.

The aim of this book is to provide the reader with a modern presentation of ionic solutions at interfaces, for physical chemists, chemists and theoretically oriented experimentalists in this field.