Viraht Sahni - Quantal Density Functional Theory II: Approximation Methods and Applications
Published: 2009-11-05 | ISBN: 3540922288 | PDF | 444 pages | 5 MB
This book is on approximation methods and applications of Quantal Density Functional Theory (QDFT), a new local effective-potential-energy theory of electronic structure. What distinguishes the theory from traditional density functional theory is that the electron correlations due to the Pauli exclusion principle, Coulomb repulsion, and the correlation contribution to the kinetic energy – the Correlation-Kinetic effects – are separately and explicitly defined. As such it is possible to study each property of interest as a function of the different electron correlations.