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A matter of densityexploring the ele...

Sukumar, N., (1957-)

A matter of densityexploring the electron density concept in the chemical, biological, and materials sciences /

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	A matter of densityedited by N. Sukumar.
其他題名:	exploring the electron density concept in the chemical, biological, and materials sciences /
其他作者:	Sukumar, N.,
出版者:	Hoboken, N.J. :John Wiley,2013.
面頁冊數:	1 online resource (318 p.)
標題:	Electron distribution.
電子資源:	http://onlinelibrary.wiley.com/book/10.1002/9781118431740
ISBN:	9781118431740 (electronic bk.)

A matter of densityexploring the electron density concept in the chemical, biological, and materials sciences /
A matter of densityexploring the electron density concept in the chemical, biological, and materials sciences /[electronic resource] :edited by N. Sukumar. - Hoboken, N.J. :John Wiley,2013. - 1 online resource (318 p.)

Includes bibliographical references and index.

Introduction of Probability Concepts in Physics -- Does God Play Dice? -- The Electron Density -- Atoms in Molecules -- Density Functional Approach to the Electronic Structure of Matter -- Density-Functional Approximations for Exchange and Correlation -- An Understanding of the Origin of Chemical Reactivity from a Conceptual DFT Approach -- Electron Density and Molecular Similarity -- Electrostatic Potentials and Local Ionization Energies in Nanomaterial Applications -- Probing Electron Dynamics with the Laplacian of the Momentum Density -- Applications of Modern Density Functional Theory to Surfaces and Interfaces.

"Electron density is one of the fundamental concepts underpinning modern chemistry, and this book presents a conceptual treatment of the subject with equal emphasis on computational and philosophical questions. Beginning with the use of probabilities in statistical physics and the origins of quantum mechanics, the conceptual and statistical framework developed is employed to treat quantum entanglement, Bader's theory of atoms in molecules, open systems, and the theory of insulators. Employing a coherent and logical structure, the book is accessible to students and faculty working in chemistry and computational materials science"--

ISBN: 9781118431740 (electronic bk.)

LCCN: 2012033608Subjects--Topical Terms:

378693
Electron distribution.

LC Class. No.: QC793.5.E626 / M38 2013

Dewey Class. No.: 539.7/2112

A matter of densityexploring the electron density concept in the chemical, biological, and materials sciences /
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050 1 0 $a QC793.5.E626 $b M38 2013
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245 0 2 $a A matter of density $h [electronic resource] : $b exploring the electron density concept in the chemical, biological, and materials sciences / $c edited by N. Sukumar.
260 $a Hoboken, N.J. : $b John Wiley, $c 2013.
300 $a 1 online resource (318 p.)
504 $a Includes bibliographical references and index.
505 0 $a Introduction of Probability Concepts in Physics -- Does God Play Dice? -- The Electron Density -- Atoms in Molecules -- Density Functional Approach to the Electronic Structure of Matter -- Density-Functional Approximations for Exchange and Correlation -- An Understanding of the Origin of Chemical Reactivity from a Conceptual DFT Approach -- Electron Density and Molecular Similarity -- Electrostatic Potentials and Local Ionization Energies in Nanomaterial Applications -- Probing Electron Dynamics with the Laplacian of the Momentum Density -- Applications of Modern Density Functional Theory to Surfaces and Interfaces.
520 $a "Electron density is one of the fundamental concepts underpinning modern chemistry, and this book presents a conceptual treatment of the subject with equal emphasis on computational and philosophical questions. Beginning with the use of probabilities in statistical physics and the origins of quantum mechanics, the conceptual and statistical framework developed is employed to treat quantum entanglement, Bader's theory of atoms in molecules, open systems, and the theory of insulators. Employing a coherent and logical structure, the book is accessible to students and faculty working in chemistry and computational materials science"-- $c Provided by publisher.
520 $a "This book presents a conceptual treatment of electron density with equal emphasis on computational and philosophical questions in a coherent and logically connected manner consisting of foundations, analysis, and applications"-- $c Provided by publisher.
588 $a Description based on online resource; title from digital title page (viewed on Dec. 18, 2012).
650 0 $a Electron distribution. $3 378693
700 1 $a Sukumar, N., $d 1957- $3 721386
856 4 0 $u http://onlinelibrary.wiley.com/book/10.1002/9781118431740