Modern Electronic Structure Theory (In 2 Parts) - Part 1

Modern Electronic Structure Theory (In 2 Parts) - Part 1

Author: David R Yarkony

Publisher: World Scientific

Published: 1995-09-28

Total Pages: 766

ISBN-13: 9814504440

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Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.


Modern Electronic Structure Theory (In 2 Parts) - Part 2

Modern Electronic Structure Theory (In 2 Parts) - Part 2

Author: David R Yarkony

Publisher: World Scientific

Published: 1995-09-28

Total Pages: 785

ISBN-13: 9814504459

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Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.


Modern Electronic Structure Theory

Modern Electronic Structure Theory

Author: David Yarkony

Publisher: World Scientific

Published: 1995

Total Pages: 788

ISBN-13: 9789810229887

DOWNLOAD EBOOK

Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.


Modern Quantum Chemistry

Modern Quantum Chemistry

Author: Attila Szabo

Publisher: Courier Corporation

Published: 2012-06-08

Total Pages: 484

ISBN-13: 0486134598

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This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.


Perspectives in Electronic Structure Theory

Perspectives in Electronic Structure Theory

Author: Roman F. Nalewajski

Publisher: Springer Science & Business Media

Published: 2012-03-26

Total Pages: 727

ISBN-13: 3642201792

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The understanding in science implies insights from several different points of view. Alternative modern outlooks on electronic structure of atoms and molecules, all rooted in quantum mechanics, are presented in a single text. Together these complementary perspectives provide a deeper understanding of the localization of electrons and bonds, the origins of chemical interaction and reactivity behavior, the interaction between the geometric and electronic structure of molecules, etc. In the opening two parts the basic principles and techniques of the contemporary computational and conceptual quantum chemistry are presented, within both the wave-function and electron-density theories. This background material is followed by a discussion of chemical concepts, including stages of the bond-formation processes, chemical valence and bond-multiplicity indices, the hardness/softness descriptors of molecules and reactants, and general chemical reactivity/stability principles. The insights from Information Theory, the basic elements of which are briefly introduced, including the entropic origins and Orbital Communication Theory of the chemical bond, are the subject of Part IV. The importance of the non-additive (interference) information tools in exploring patterns of chemical bonds and their covalent and ionic components will be emphasized.