Density Functional Theory

Author: David Sholl
Publisher: John Wiley & Sons
ISBN: 1118211049
Size: 75.65 MB
Format: PDF, Mobi
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Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, ...

Density Functional Theory

Author: David Sholl
Publisher: Wiley-Interscience
ISBN: 9780470373170
Size: 79.77 MB
Format: PDF, ePub, Docs
View: 5479
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Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, ...

Density Functional Theory

Author: David Sholl
Publisher: John Wiley and Sons
ISBN: 9780470447703
Size: 68.20 MB
Format: PDF, Kindle
View: 1945
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Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, ...

Materials Modelling Using Density Functional Theory

Author: Feliciano Giustino
Publisher: Oxford University Press
ISBN: 0199662436
Size: 30.60 MB
Format: PDF
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This book can be used either as a complement to the quantum theory of materials, or as a primer in modern techniques of computational materials modelling using density functional theory.

Density Functional Theory Of Atoms And Molecules

Author: Robert G. Parr
Publisher: Oxford University Press
ISBN: 9780195357738
Size: 44.11 MB
Format: PDF, ePub, Mobi
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This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules.

A Primer In Density Functional Theory

Author: Carlos Fiolhais
Publisher: Springer Science & Business Media
ISBN: 3540030832
Size: 12.89 MB
Format: PDF, ePub, Mobi
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Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems.

Electronic Structure

Author: Richard M. Martin
Publisher: Cambridge University Press
ISBN: 9780521782852
Size: 22.87 MB
Format: PDF, ePub
View: 3405
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An important graduate textbook in condensed matter physics by highly regarded physicist.

Time Dependent Density Functional Theory

Author: Carsten A. Ullrich
Publisher: OUP Oxford
ISBN: 0191627445
Size: 71.37 MB
Format: PDF, ePub, Mobi
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This book is the first graduate-level text on the concepts and applications of TDDFT, including many examples and exercises, and extensive coverage of the literature.

Density Functional Theory

Author: Eberhard Engel
Publisher: Springer Science & Business Media
ISBN: 9783642140907
Size: 72.16 MB
Format: PDF, Mobi
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This work offers a rigorous and detailed introduction to the foundations of this theory, up to and including such advanced topics as orbital-dependent functionals as well as both time-dependent and relativistic DFT.

Computational Materials Science

Author: June Gunn Lee
Publisher: CRC Press
ISBN: 1498749763
Size: 52.59 MB
Format: PDF, ePub
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This book covers the essentials of Computational Science and gives tools and techniques to solve materials science problems using molecular dynamics (MD) and first-principles methods.