On orthogonality constrained multiple core-hole states and optimized effective potential method

Journal of Computational Chemistry

Volumn 33, Issue 26, 2012, Pages 2058-2066

  Glushkov, V N ^a   Assfeld, X ^b  

^a OLES HONCHAR DNIPRO NATIONAL UNIVERSITY   (Ukraine)

^b UNIVERSITÉ DE LORRAINE   (France)

Author keywords

core hole states; ionization potential; optimized effective potential; orthogonality constraints

Indexed keywords

CORE-HOLE STATE; CORRELATION CORRECTIONS; DINGER EQUATION; DIRECT MAPPING; DOUBLE CORE; EFFECTIVE POTENTIALS; EXTERNAL POTENTIAL; HOLE STATE; KOHN-SHAM POTENTIAL; MANY BODY PERTURBATION THEORY; NEUTRAL SYSTEMS; OPTIMIZED EFFECTIVE POTENTIAL; OPTIMIZED EFFECTIVE POTENTIAL METHOD; ORBITALS; ORTHOGONALITY; ORTHOGONALITY CONSTRAINTS; SECOND ORDERS; SELF-CONSISTENT FIELD METHOD; SLATER DETERMINANTS; UNIFIED FRAMEWORK;

OPTIMIZATION;

IONIZATION POTENTIAL;

EID: 84866236588     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23041     Document Type: Article

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