The calculation of excitation energies based on the relativistic two-component zeroth-order regular approximation and time-dependent density-functional with full use of symmetry

Journal of Chemical Physics

Volumn 122, Issue 20, 2005, Pages

  Wang, Fan ^a   Ziegler, Tom ^a   Van Lenthe, Erik ^b   Van Gisbergen, Stan ^b   Baerends, Evert Jan ^b  

^a UNIVERSITY OF CALGARY   (Canada)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

DIATOMIC MOLECULES; EXCHANGE-CORRELATION (XC) FUNCTIONAL; EXCITATION ENERGIES; SPIN-ORBIT COUPLING EFFECT;

APPROXIMATION THEORY; COMPUTATIONAL METHODS; GROUND STATE; MATRIX ALGEBRA; POLARIZATION; PROBABILITY DENSITY FUNCTION;

QUANTUM THEORY;

EID: 20944438530     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1899143     Document Type: Article

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