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Volumn 116, Issue 16, 2002, Pages 6930-6940

Chiroptical properties from time-dependent density functional theory. I. Circular dichroism spectra of organic molecules

(4) Autschbach, Jochen a Ziegler, Tom a Van Gisbergen, Stan J A b Baerends, Evert Jan b

a UNIVERSITY OF CALGARY (Canada)

b VU UNIVERSITY AMSTERDAM (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; EIGENVALUES AND EIGENFUNCTIONS; GROUND STATE; MAGNETIC MOMENTS; MATRIX ALGEBRA; MOLECULES; ORGANIC COMPOUNDS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; TENSORS;

CHIROPTICAL PROPERTIES; CIRCULAR DICHROISM SPECTRA; ELECTRIC DIPOLE MOMENTS; ELECTRIC POLARIZABILITY TENSOR; MAGNETIC SUSCEPTIBILITY TENSOR; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY;

OPTICAL PROPERTIES;

EID: 0037156098 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1436466 Document Type: Article

Times cited : (402)

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