DENSITY-FUNCTIONAL THEORY FOR EXCITED-STATES

Authors
Citation
Ak. Theophilou, DENSITY-FUNCTIONAL THEORY FOR EXCITED-STATES, Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties, 69(5), 1994, pp. 771-777
Citations number
30
Categorie Soggetti
Physics, Applied
ISSN journal
09586644
Volume
69
Issue
5
Year of publication
1994
Pages
771 - 777
Database
ISI
SICI code
0958-6644(1994)69:5<771:DTFE>2.0.ZU;2-1
Abstract
A subspace theory of the density functional for excited states is show n to give the density of states. Useful inequalities connecting the el ectronic energies of atoms and molecules are presented. A metric is de fined for the set of M-dimensional subspaces of a Hilbert space to giv e a theorem on the convergence of subspaces. For central potentials of non-interacting systems the density due to the orbitals with certain defined angular momenta determine uniquely the ground state and the po tential.