Quantal density functional theory

Resource Information

The work Quantal density functional theory represents a distinct intellectual or artistic creation found in Sydney Jones Library, University of Liverpool. This resource is a combination of several types including: Work, Language Material, Books.

Label

Quantal density functional theory

Statement of responsibility

Viraht Sahni

Creator

• Sahni, Viraht, 1944-
• Sahni, Viraht, 1944-

Author

• Sahni, Viraht, 1944-
• Sahni, Viraht, 1944-

Subject

• Surface and Interface Science, Thin Films
• Surfaces and Interfaces, Thin Films
• Theoretical, Mathematical and Computational Physics
• Density functionals
• Math. Applications in Chemistry
• Physics
• Quantum theory

Language

eng

Summary

This book deals with quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter. The treated time-independent QDFT constitutes a special case. In the 2nd edition, the theory is extended to include the presence of external magnetostatic fields. The theory is a description of matter based on the ‘quantal Newtonian’ first and second laws which is in terms of zclassicaly fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representative of electron correlations due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, correlation-current-density, and correlation-magnetic effects. The book further describes Schrödinger theory from the new physical perspective of fields and quantal sources. It also describes traditional Hohenberg-Kohn-Sham DFT, and explains via QDFT the physics underlying the various energy functionals and functional derivatives of the traditional approach to electronic structure.

Cataloging source

N$T

Dewey number

530.12

Illustrations

illustrations

Index

index present

LC call number

QC20.7.D43

LC item number

S35 2016

Literary form

non fiction

Nature of contents

• dictionaries
• bibliography