Density Functional Theory

Author: David Sholl
Publisher: John Wiley & Sons
ISBN: 1118211049
Size: 32.23 MB
Format: PDF, Mobi
View: 5365
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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: 33.24 MB
Format: PDF, ePub
View: 3419
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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: 16.87 MB
Format: PDF, ePub
View: 3549
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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 (UK)
ISBN: 0199662444
Size: 57.86 MB
Format: PDF, ePub
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This book is an introduction to the modern quantum theory of materials, and primarily addresses seniorundergraduate and first-year graduate students in the physical and chemical sciences, and in materials science and engineering.

Density Functional Theory Of Atoms And Molecules

Author: Robert G. Parr
Publisher: Oxford University Press
ISBN: 9780195357738
Size: 71.75 MB
Format: PDF, ePub
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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.

Time Dependent Density Functional Theory

Author: Carsten Ullrich
Publisher: Oxford University Press
ISBN: 0199563020
Size: 14.67 MB
Format: PDF
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It's widely used in (bio)chemistry and physics to calculate molecular excitation energies and optical properties of materials. This is the first graduate-level text on the formal framework and applications of TDDFT.

Modern Density Functional Theory A Tool For Chemistry

Author: P. Politzer
Publisher: Elsevier
ISBN: 9780080536705
Size: 68.75 MB
Format: PDF, Kindle
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This book covers the theoretical principles of DFT, and details its application to several contemporary problems. All current techniques are covered, many are critically assessed, and some proposals for the future are reviewed.

Electronic Structure

Author: Richard M. Martin
Publisher: Cambridge University Press
ISBN: 1139643657
Size: 66.35 MB
Format: PDF
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This book provides a unified exposition of the basic theory and methods of electronic structure, together with instructive examples of practical computational methods and real-world applications.

Density Functional Theory

Author: Eberhard Engel
Publisher: Springer Science & Business Media
ISBN: 9783642140907
Size: 15.54 MB
Format: PDF, ePub
View: 1114
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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: 72.75 MB
Format: PDF
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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.