Localized orbital corrections for the calculation of ionization potentials and electron affinities in density functional theory.
Knoll, Eric H
Localized orbital corrections for the calculation of ionization potentials and electron affinities in density functional theory. [electronic resource] - The journal of physical chemistry. B Sep 2006 - 18787-802 p. digital
Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, U.S. Gov't, Non-P.H.S.
1520-6106
10.1021/jp0619888 doi
Electrons
Linear Models
Models, Molecular
Molecular Structure
Localized orbital corrections for the calculation of ionization potentials and electron affinities in density functional theory. [electronic resource] - The journal of physical chemistry. B Sep 2006 - 18787-802 p. digital
Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, U.S. Gov't, Non-P.H.S.
1520-6106
10.1021/jp0619888 doi
Electrons
Linear Models
Models, Molecular
Molecular Structure