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Ajouter au panierTaschenbuch. Etat : Neu. Druck auf Anfrage Neuware - Printed after ordering - The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, 'quantum chemists' seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by and large, computationists. But first and foremost, we, quantum chemists, are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.
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Langue: anglais
Edité par World Scientific Publishing Company, 2000
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Ajouter au panierhardcover. Etat : Sehr gut. 430 Seiten; 9781439825617.2 Gewicht in Gramm: 1.
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Ajouter au panierBuch. Etat : Neu. Druck auf Anfrage Neuware - Printed after ordering - This volume contains eight contributions focusing on important conceptual trends in atomic and molecular theory. The `polarization' between ab initio and semiempirical methods is thoroughly analyzed in two of the articles, which also provide bridges between such procedures. Hydrogen transfer theory and electron delocalization are treated in two further papers. Explicitly time dependent descriptions of intermolecular dynamics, which constitute a characteristic trend in current research, is represented by an article about the quantum dynamics of diatoms in external fields. An unusual view of certain atomic excited states is presented in a paper on collective and independent particle character, and a new theoretical tool is surveyed in an article on dimensional scaling. The final article analyzes density functional theory from an unusual point of view. This book, which is a companion volume to Conceptual Trends in Quantum Chemistry, edited by E.S. Kryachko and J.L. Calais, ISBN 0-7923-2621-0, is for researchers and scientists in physics and chemistry from both industry and academia.
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Ajouter au panierEtat : Sehr gut. Zustand: Sehr gut | Seiten: 276 | Sprache: Englisch | Produktart: Bücher | This volume contains eight contributions focusing on important conceptual trends in atomic and molecular theory. The `polarization' between ab initio and semiempirical methods is thoroughly analyzed in two of the articles, which also provide bridges between such procedures. Hydrogen transfer theory and electron delocalization are treated in two further papers. Explicitly time dependent descriptions of intermolecular dynamics, which constitute a characteristic trend in current research, is represented by an article about the quantum dynamics of diatoms in external fields. An unusual view of certain atomic excited states is presented in a paper on collective and independent particle character, and a new theoretical tool is surveyed in an article on dimensional scaling. The final article analyzes density functional theory from an unusual point of view. This book, which is a companion volume to Conceptual Trends in Quantum Chemistry, edited by E.S. Kryachko and J.L. Calais, ISBN 0-7923-2621-0, is for researchers and scientists in physics and chemistry from both industry and academia.
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Ajouter au panierHardcover. Etat : Brand New. 276 pages. 10.00x6.75x0.75 inches. In Stock.
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Edité par Springer Netherlands|Springer, Berlin, 1995
ISBN 10 : 0792333888 ISBN 13 : 9780792333883
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Ajouter au panierGebunden. Etat : New. This volume contains eight contributions focusing on important conceptual trends in atomic and molecular theory. The `polarization between ab initio and semiempirical methods is thoroughly analyzed in two of the articles, which also provide bridges between.
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Ajouter au panierEtat : gut. 2010. Quantum Trajectories (Atoms, Molecules, and Clusters: Structure, Reactivity, and Dynamics) In englischer Sprache. pages.
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Edité par Springer Netherlands, Springer Okt 2012, 2012
ISBN 10 : 9401041164 ISBN 13 : 9789401041164
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Ajouter au panierTaschenbuch. Etat : Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, 'quantum chemists' seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by and large, computationists. But first and foremost, we, quantum chemists, are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general. 276 pp. Englisch.
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Ajouter au panierEtat : New. Print on Demand pp. xii + 262.