Density Functional Theory in Quantum Chemistry
Language: en
Pages: 207
Authors: Takao Tsuneda
Categories: Science
Type: BOOK - Published: 2014-02-18 - Publisher: Springer Science & Business Media

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In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in q
Quantum Chemistry and Dynamics of Excited States
Language: en
Pages: 52
Authors: Leticia González
Categories: Science
Type: BOOK - Published: 2021-02-01 - Publisher: John Wiley & Sons

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An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantu
The Fundamentals of Density Functional Theory
Language: en
Pages: 205
Authors:
Categories: Technology & Engineering
Type: BOOK - Published: 2012-12-06 - Publisher: Springer Science & Business Media

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Density functional methods form the basis of a diversified and very active area of present days computational atomic, molecular, solid state and even nuclear ph
A Primer in Density Functional Theory
Language: en
Pages: 290
Authors: Carlos Fiolhais
Categories: Science
Type: BOOK - Published: 2003-06-11 - Publisher: Springer Science & Business Media

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Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems. Originally applied to compute prope
A Chemist's Guide to Density Functional Theory
Language: en
Pages: 378
Authors: Wolfram Koch
Categories: Science
Type: BOOK - Published: 2015-11-18 - Publisher: John Wiley & Sons

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"Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive, thorough and clearly written exposit