ISSN:
0020-7608
Keywords:
excited states
;
Kato's theorem
;
adiabatic connection
;
optimized potential method
;
KLI approximation
;
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Density functional theory for a single excited state is presented using Kato's theorem and the concept of adiabatic connection. The degenerate case is also detailed. The optimized potential method is generalized. The generalized Krieger, Li, and Iafrate (KLI) approximation is derived. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 70: 681-691, 1998
Additional Material:
2 Tab.
Type of Medium:
Electronic Resource