An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules

Journal of Chemical Physics

Volumn 109, Issue 19, 1998, Pages 8218-8224

  Stratmann, R Eric ^a   Scuseria, Gustavo E ^a   Frisch, Michael J ^b  

^a RICE UNIVERSITY   (United States)

^b Lorentzian Incorporated   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CARBON; COMPUTER SIMULATION; CONVERGENCE OF NUMERICAL METHODS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRIC EXCITATION; HYDROGEN BONDS; MATRIX ALGEBRA; MOLECULES; NUMERICAL METHODS; VECTORS;

EXCITATION ENERGY; NON HERMITIAN MATRIX; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME DEPENDENT HARTREE FOCK SCHEME;

ALGORITHMS;

EID: 0032533083     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477483     Document Type: Article

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