Density-Functional Theory of Atoms and Molecules

Density-Functional Theory of Atoms and Molecules
Author :
Publisher : Oxford University Press
Total Pages : 344
Release :
ISBN-13 : 9780195357738
ISBN-10 : 0195357736
Rating : 4/5 (36 Downloads)

Book Synopsis Density-Functional Theory of Atoms and Molecules by : Robert G. Parr

Download or read book Density-Functional Theory of Atoms and Molecules written by Robert G. Parr and published by Oxford University Press. This book was released on 1994-05-26 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The book is intended for physicists, chemists, and advanced students in chemistry.


Density-Functional Theory of Atoms and Molecules Related Books

Density-Functional Theory of Atoms and Molecules
Language: en
Pages: 344
Authors: Robert G. Parr
Categories: Science
Type: BOOK - Published: 1994-05-26 - Publisher: Oxford University Press

DOWNLOAD EBOOK

This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applicatio
Density-Functional Theory of Atoms and Molecules
Language: en
Pages: 344
Authors: Robert G. Parr
Categories: Science
Type: BOOK - Published: 1989 - Publisher: OUP USA

DOWNLOAD EBOOK

Provides an account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molec
Density-Functional Theory of Atoms and Molecules
Language: en
Pages: 343
Authors: Robert G. Parr
Categories: Science
Type: BOOK - Published: 1989-04-13 - Publisher: Oxford University Press

DOWNLOAD EBOOK

This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applicatio
Density Functional Theory
Language: en
Pages: 252
Authors: David S. Sholl
Categories: Science
Type: BOOK - Published: 2011-09-20 - Publisher: John Wiley & Sons

DOWNLOAD EBOOK

Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computa
Horizons of Quantum Chemistry
Language: en
Pages: 290
Authors: K. Fukui
Categories: Science
Type: BOOK - Published: 2012-12-06 - Publisher: Springer Science & Business Media

DOWNLOAD EBOOK

Proceedings of the Third International Congress of Quantum Chemistry, held at Kyoto, Japan, October 29-November 3, 1979