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This volume contains a selection of scientific papers related to
the structure and dynamics of non-rigid molecules. This frontline
topic was born a few decades ago, when Longuet-Higgins proposed his
famous theory of Molecular Symmetry Groups (Mol. Phys. 6, (1962)
457). Unfortunately, since this early paper, very few publications
have been devoted to the study of non-rigid molecules. Let us
mention some books which dedicate some chapters to them: Induced
Representations in Crystals and Molecules, by S. L. Altmann,
Academic Publishers, 1977; Molecular Symmetry and Spectroscopy, by
P. R. Bunker, Academic Publishers, 1979; and finally Large
Amplitude Motion in Molecules, Vols. I and II, by several authors,
Springer Verlag, 1979. More recently an International Symposium on
Non-Rigid Molecules was held in Paris, France, from 1-7 July 1982,
the proceedings of which were published in the volume entitled
Symmetries and Properties of Non-Rigid Molecules. A Comprehensive
Survey, edited by J. Maruani et al., Elsevier, 1983. Finally, we
should mention the very specialized work The Permutational Approach
to Dynamic Stereochemistry, by J. Brocas et al., McGraw-Hill, 1983.
The purpose of this book is to fill in this information on the
structure and dynamics of non-rigid systems. To this aim, we have
gathered a collection of recent papers written by the most
qualified specialists in the world, covering a large field from van
der Waals molecules to inorganic complexes and organic polyrotor
molecules, as well as considering statistical and dynamic aspects.
Quantum Systems in Chemistry and Physics contains a refereed
selection of the papers presented at the first European Workshop on
this subject, held at San Miniato, near Pisa, Italy, in April 1996.
The Workshop brought together leading experts in theoretical
chemistry and molecular physics with an interest in the quantum
mechanical many-body problem. This volume provides an insight into
the latest research in this increasingly important field.
Throughout the Workshop, the emphasis was on innovative theory and
conceptual developments rather than on computational
implementation. The various contributions presented reflect this
emphasis and embrace topics such as density matrices and density
functional theory, relativistic formulations, electron correlation,
valence theory, nuclear motion, response theory, condensed matter,
and chemical reactions. Audience: The volume will be of interest to
those working in the molecular sciences and to theoretical chemists
and molecular physicists in particular.
The present volume gathers a series of selected and updated
contributions presented at the International Symposium on Applied
Theoretical Chemistry held in Havana, Cuba, July 2-6, 1990. This
Symposium was intended to illustrate current applications of
Theoretical Chemistry in different fields of Physical Chemistry.
Theoretical Chemistry has become a powerful tool of investigation
in all areas of Chemistry, Biochemistry, and Physical Chemistry.
The plenary lectures given in the Symposium were classified into
four topics: Atom-Surface Interactions, Chemical Reaction
Mechanisms, Molecular Structure and Properties, and Molecular
Spectroscopy. We retain the same division in this volume. Over 60
scientists from Cuba, Finland, France, Germany, Great-Britain,
Hungary, Italy, Spain, Sweden, USA, USSR, and Venezuela
participated in the Conference. Twenty plenary lectures were given
by distinguished members of the international scientific community.
Furthermore, a large number of posters were presented by younger
experts in various fields of Theoretical Chemistry. This
International Symposium was organized by the Faculty of Chemistry
of the University of Havana and the Cuban Chemical Society. It was
an opportunity to bring together in Havana several outstanding
scientists from various countries of the world. Havana is worldwide
renown for its wonderful climate, the hospitality of its
inhabitants, and the proximity of beautiful touring resorts.
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, A total ofone hundred
and fifteen scientists attended the workshop, 99 from Europe and 16
from the rest ofthe world. They discussed the state of the art, new
trends, and future evolution of the methods and applications. The
workshop was held in the old town of Marly-le-Roi, which lies to
the West of Paris between the historic centres of
Saint-Germain-en-Laye and Versailles. Participants were housed at
the National Youth Institute, where over sixty lectures were given
by l- ding members ofthe scientific community; in addition, over
sixty posters were presented in two very animated sessions. We are
grateful to the oral speakers and to the poster p- senters for
making the workshop such an stimulating experience. The social
programme was also memorable - and notjust for the closing banquet,
which was held at the French Senate House. We are sure that
participants will long remember their visit to the 'Musee des
Antiquites Nationales': created by Napoleon III at the birthplace
ofLouis XIV, this museum boasts one ofthe world finest collections
ofarcheological artifacts. The Marly-le-Roi workshop followed the
format established at the three previous meetings, organized by
Prof.
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. A total of one hundred
and fifteen scientists attended the workshop, 99 from Europe and 16
from the rest of the world. They discussed the state of the art,
new trends, and future evolution of the methods and applications.
The workshop was held in the old town of Marly-le-Roi, which lies
to the West of Paris between the historic centres of
Saint-Germain-en-Laye and Versailles. Participants were housed at
the National Youth Institute, where over sixty lectures were given
by l- ding members of the scientific community; in addition, over
sixty posters were presented in two very animated sessions. We are
grateful to the oral speakers and to the poster p- senters for
making the workshop such an stimulating experience. The social
programme was also memorable - and not just for the closing
banquet, which was held at the French Senate House. We are sure
that participants will long remember their visit to the 'Musee des
Antiquites Nationales' created by Napoleon III at the birthplace of
Louis XIV, this museum boasts one of the world finest collections
of archeological artifacts. The Marly-le-Roi workshop followed the
format established at the three previous meetings, organized by
Prof."
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. A total of one hundred
and fifteen scientists attended the workshop, 99 from Europe and 16
from the rest of the world. They discussed the state of the art,
new trends, and future evolution of the methods and applications.
The workshop was held in the old town of Marly-le-Roi, which lies
to the West of Paris between the historic centres of
Saint-Germain-en-Laye and Versailles. Participants were housed at
the National Youth Institute, where over sixty lectures were given
by l- ding members of the scientific community; in addition, over
sixty posters were presented in two very animated sessions. We are
grateful to the oral speakers and to the poster p- senters for
making the workshop such an stimulating experience. The social
programme was also memorable - and not just for the closing
banquet, which was held at the French Senate House. We are sure
that participants will long remember their visit to the 'Musee des
Antiquites Nationales' created by Napoleon III at the birthplace of
Louis XIV, this museum boasts one of the world finest collections
of archeological artifacts. The Marly-le-Roi workshop followed the
format established at the three previous meetings, organized by
Prof."
Quantum Systems in Chemistry and Physics contains a refereed
selection of the papers presented at the first European Workshop on
this subject, held at San Miniato, near Pisa, Italy, in April 1996.
The Workshop brought together leading experts in theoretical
chemistry and molecular physics with an interest in the quantum
mechanical many-body problem. This volume provides an insight into
the latest research in this increasingly important field.
Throughout the Workshop, the emphasis was on innovative theory and
conceptual developments rather than on computational
implementation. The various contributions presented reflect this
emphasis and embrace topics such as density matrices and density
functional theory, relativistic formulations, electron correlation,
valence theory, nuclear motion, response theory, condensed matter,
and chemical reactions. Audience: The volume will be of interest to
those working in the molecular sciences and to theoretical chemists
and molecular physicists in particular.
The description of quantum systems is fundamental to an
understanding of many problems in chemistry and physics. This
volume records a representative slection of the papers delivered at
the second European Workshop on Quantum Systems in Chemistry and
Physics which was held at Jesus College, Oxford, April 6-9, 1997.
The purpose of this international Workshop was to bring together
chemists and physicists with a common interest--the quantum
mechanical many-body problem--and to encourage collaboration and
exchange of ideas on the fundamentals by promoting innovative
theory and conceptual development rather than improvements in
computatorial techniques and routine applications.
Key Features
* Covers the following topics:
* Density matrices and density functional theory
* Electron correlation
* Relativistic effects
* Valence theory
* Nuclear motion
* Response theory
* Condensed matter
* Chemical reactions
The description of quantum systems is fundamental to an
understanding of many problems in chemistry and physics. This
volume records a representative slection of the papers delivered at
the second European Workshop on Quantum Systems in Chemistry and
Physics which was held at Jesus College, Oxford, April 6-9, 1997.
The purpose of this international Workshop was to bring together
chemists and physicists with a common interest--the quantum
mechanical many-body problem--and to encourage collaboration and
exchange of ideas on the fundamentals by promoting innovative
theory and conceptual development rather than improvements in
computatorial techniques and routine applications.
Key Features
* Covers the following topics:
* Density matrices and density functional theory
* Electron correlation
* Relativistic effects
* Valence theory
* Nuclear motion
* Response theory
* Condensed matter
* Chemical reactions
This is one of two volumes which together comprise about 40 papers
coming from the most outstanding contributions to the fourth
European Quantum Systems in Chemistry and Physics workshop held in
Marly, France, in 1999. 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. The first volume is
subtitled "Basic Problems and Model Systems", which includes the
following topics: density matrices and density functionals,
electron correlation effects, relativistic formulations and
effects, valence theory and nuclear motion. The second volume is
subtitled "Advanced Problems and Complex Systems" and covers the
following topics: response theory, reactive collisions and chemical
reactions and condensed matter.
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