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Fundamentals of Time-Dependent Density Functional Theory
Language: en
Pages: 573
Authors: Miguel A.L. Marques
Categories: Science
Type: BOOK - Published: 2012-01-21 - Publisher: Springer Science & Business Media

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There have been many significant advances in time-dependent density functional theory over recent years, both in enlightening the fundamental theoretical basis
Density Functional Theory
Language: en
Pages: 543
Authors: Eberhard Engel
Categories: Science
Type: BOOK - Published: 2011-02-14 - Publisher: Springer Science & Business Media

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Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and
Density Functional Theory
Language: en
Pages: 252
Authors: David S. Sholl
Categories: Science
Type: BOOK - Published: 2011-09-20 - Publisher: John Wiley & Sons

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Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computa
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
Materials Modelling Using Density Functional Theory
Language: en
Pages: 303
Authors: Feliciano Giustino
Categories: Mathematics
Type: BOOK - Published: 2014 - Publisher: Oxford University Press, USA

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The book explains the fundamental ideas of density functional theory, and how this theory can be used as a powerful method for explaining and even predicting th