J L Calais (22 results)

Condition: As New. Unread book in perfect condition.

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Condition: New. In English.

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03. Condition: Wie neu. 1994. 204 S., kart. Remaining at the one-electron level, it selects a small number of basic concepts and procedures and demonstrates what they mean in practice for free atoms, small molecules, polymers, surfaces and crystals. Intended to encourage students to discover ''lea Sprache: Deutsch.…

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Condition: New.

Condition: New. In English.

Buch. Condition: 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. …

Condition: New.

Condition: As New. Unread book in perfect condition.

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Buch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - There can be no doubt about the tremendous quantitative success that quantum chemistry has had in the last three decades. This has led to the launch of Conceptual Trends in Quantum Chemistry, a collection of essays intended to stimulate discussion in this field, of which the first volume was published in 1994, and the second in 1995. This third volume contains fourteen papers by leading experts, covering topics such as recent developments in multiple scattering theory and density functional theory for molecules and solids; localised atomic hybrids; quantum electrodynamics and molecular structure; aspects of the chemical bond; Lie symmetries in quantum mechanics; the interplay between quantum chemistry and molecular dynamics simulations; the permutation group in many-electron theory; new developments in many body perturbation theory and coupled cluster theory; a philosopher's perspective of the `problem' of molecular shape; Van Der Waals interactions from density functional theories; different legacies and common aims; potential energy hypersurfaces for hydrogen bonded clusters (HF)N; one-electron pictures of electronic structure; and shape in quantum chemistry. Audience: This book will be of interest to researchers and graduate students whose work involves quantum chemistry, quantum mechanics, chemical physics, methodology, and mathematical statistical methods.…

Hardcover. Condition: Brand New. 1st edition. 264 pages. 10.00x6.75x0.50 inches. In Stock.

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Condition: 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.…

Condition: As New. Unread book in perfect condition.

Condition: As New. Unread book in perfect condition.

Condition: New. A comprehensive, practical examination of the basic principles and inner mechanics of matter. Moving from pure principles to real applications, the Quantum Chemistry Workbook is a step-by-step study guide to the inner workings of nature s fundamental sy.

Buch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -There can be no doubt about the tremendous quantitative success that quantum chemistry has had in the last three decades. This has led to the launch of Conceptual Trends in Quantum Chemistry, a collection of essays intended to stimulate discussion in this field, of which the first volume was published in 1994, and the second in 1995. This third volume contains fourteen papers by leading experts, covering topics such as recent developments in multiple scattering theory and density functional theory for molecules and solids; localised atomic hybrids; quantum electrodynamics and molecular structure; aspects of the chemical bond; Lie symmetries in quantum mechanics; the interplay between quantum chemistry and molecular dynamics simulations; the permutation group in many-electron theory; new developments in many body perturbation theory and coupled cluster theory; a philosopher's perspective of the `problem' of molecular shape; Van Der Waals interactions from density functional theories; different legacies and common aims; potential energy hypersurfaces for hydrogen bonded clusters (HF)N; one-electron pictures of electronic structure; and shape in quantum chemistry. Audience: This book will be of interest to researchers and graduate students whose work involves quantum chemistry, quantum mechanics, chemical physics, methodology, and mathematical statistical methods. 572 pp. Englisch.…

Buch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -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. 276 pp. Englisch.…