Relativistic Electronic Structure Theory - Fundamentals
Language: en
Pages: 947
Authors:
Categories: Science
Type: BOOK - Published: 2002-11-22 - Publisher: Elsevier

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The first volume of this two part series is concerned with the fundamental aspects of relativistic quantum theory, outlining the enormous progress made in the l
A Mathematical Introduction to Electronic Structure Theory
Language: en
Pages: 138
Authors: Lin Lin
Categories: Mathematics
Type: BOOK - Published: 2019-06-05 - Publisher: SIAM

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Based on first principle quantum mechanics, electronic structure theory is widely used in physics, chemistry, materials science, and related fields and has rece
Theory and Applications of Computational Chemistry
Language: en
Pages: 1336
Authors: Clifford Dykstra
Categories: Science
Type: BOOK - Published: 2011-10-13 - Publisher: Elsevier

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Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common
Molecular Electronic-Structure Theory
Language: en
Pages: 949
Authors: Trygve Helgaker
Categories: Science
Type: BOOK - Published: 2014-08-11 - Publisher: John Wiley & Sons

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Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physi
Applications of Electronic Structure Theory
Language: en
Pages: 470
Authors: Henry Schaefer
Categories: Science
Type: BOOK - Published: 2012-12-06 - Publisher: Springer Science & Business Media

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These two volumes deal with the quantum theory of the electronic structure of ab initio is the notion that approximate solutions molecules. Implicit in the term