Density Functional Theory I: Functionals and Effective Potentials

ISBN-13: 9783662148341 / Angielski / Miękka / 2013 / 235 str.

R. F. Nalewajski; E. J. Baerends; K. Burke

Spis treści

Density functionals: Where do they come from, why do they work?.- Nonlocal energy functions: Gradient expansions and beyond.- Exchange and correlation in density functional theory of atoms and molecules.- Analysis and modelling of atomic and molecular kohn-sham potentials.- Local-scaling transformation version of density functional theory: Generation of density functionals.