Self-interaction corrected density functional calculations of molecular Rydberg states

Journal of Chemical Physics

Volumn 139, Issue 19, 2013, Pages

  Gudmundsdóttir, Hildur ^a   Zhang, Yao ^b   Weber, Peter M ^b   Jónsson, Hannes ^b,c  

^a UNIVERSITY OF ICELAND   (Iceland)

^b BROWN UNIVERSITY   (United States)

^c UNIVERSITY OF ICELAND   (Iceland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL EFFORT; EXCITED MOLECULES; GROUND-STATE DENSITY; MEAN ABSOLUTE ERROR; OPTIMIZED EFFECTIVE POTENTIAL; SELF-CONSISTENT FIELD METHOD; SELF-INTERACTION CORRECTIONS; SELF-INTERACTIONS;

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; MOLECULES;

RYDBERG STATES;

EID: 84903365394     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4829539     Document Type: Article

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