Journal article
Time-independent density functional theory for degenerate excited states of Coulomb systems
Abstract
In this third paper of a series [Refs. Ayers–Levy–Nagy (Phys Rev A 85:042518, 2012; J Chem Phys 143:191101, 2015) are papers I and II], time-independent universal functionals of ensemble densities are identified for individual degenerate excited levels of Coulomb systems. We prove that the ensemble Coulomb densities determine not only the Hamiltonian but also the degree of excitation. The Euler equation depending on only the ensemble density of …
Authors
Ayers PW; Levy M; Nagy Á
Journal
Theoretical Chemistry Accounts, Vol. 137, No. 11,
Publisher
Springer Nature
Publication Date
11 2018
DOI
10.1007/s00214-018-2352-7
ISSN
1432-881X