Calculation of electronic excited states of molecules using the Helmholtz free-energy minimum principle

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 87, Issue 6, 2013, Pages

  Pastorczak, Ewa ^a   Gidopoulos, Nikitas I ^b,c   Pernal, Katarzyna ^a  

^a LODZ UNIVERSITY OF TECHNOLOGY   (Poland)

^b RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^c DURHAM UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CONSTRAINED MINIMIZATION; DENSITY FUNCTIONALS; ELECTRONIC EXCITATION; ELECTRONIC EXCITED STATE; PHYSICAL PRINCIPLES; SLATER DETERMINANTS; VARIATIONAL PRINCIPLES; WAVE FUNCTION METHOD;

ELECTRIC EXCITATION; ELECTRON CORRELATIONS; ELECTRON-ELECTRON INTERACTIONS; MOLECULES; OPTIMIZATION; VARIATIONAL TECHNIQUES;

FREE ENERGY;

EID: 84878841463     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.87.062501     Document Type: Article

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