JJGEN: A flexible program for generating lists of jj-coupled configuration state functions

Computer Physics Communications

Volumn 177, Issue 6, 2007, Pages 539-550

  Sturesson, L ^a   Jonsson P ^b   Froese Fischer, C ^c  

^a LUND UNIVERSITY   (Sweden)

^b MALMÖ UNIVERSITY   (Sweden)

^c VANDERBILT UNIVERSITY   (United States)

Author keywords

Active orbitals; Active set; Active space; Complete active space; Configuration expansion; Core core correlation; Core valence correlation; Electron correlation; Excitations; Inactive orbitals; jj coupled configuration state functions; Multiconfiguration Dirac Hartree Fock; Multireference set; Pair correlation; Reference set; Restricted active space; Valence correlation

Indexed keywords

COMPUTER SOFTWARE; CORRELATION METHODS; LARGE SCALE SYSTEMS; SET THEORY; STATE ESTIMATION;

COMPLETE ACTIVE SPACE; CORE-CORE CORRELATION; CORE-VALENCE CORRELATION; ELECTRON CORRELATION; INACTIVE ORBITALS; MULTICONFIGURATION DIRAC-HARTREE-FOCK; MULTIREFERENCE SETS; PAIR CORRELATION; RESTRICTED ACTIVE SPACE; VALENCE CORRELATION;

WAVE FUNCTIONS;

EID: 34547466130     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2007.05.013     Document Type: Article

References (3)

1. P. Jönsson, X. He, C. Froese Fischer, I.P. Grant, Comput. Phys. Comm. (2007), in press
2. Sturesson L., and Froese Fischer C. Comput. Phys. Comm. 74 (1993) 432
3. Froese Fischer C. Comput. Phys. Comm. 64 (1991) 369