Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth-order wave functions

The Journal of Chemical Physics

Volumn , Issue , 1973, Pages 5745-5759

  Huron, B ^a   Malrieu, J P ^b   Rancurel, P ^a  

^a OBSERVATOIRE DE PARIS   (France)

^b Laboratoire de Chimie Quantique ^*  (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 36849099927     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1679199     Document Type: Article

References (49)

1. For calculations of correlation energy from SCF, molecular orbitals, see
2. The PCILO method also uses these techniques
3. See also a review in “Correlations effects in atoms and molecules,”
4. The simplest example concerns the behavior of the SCF energy of [formula omitted] when the interatomic distance increases. A two-determinant SCF calculation is sufficient to give a correct potential curve
5. See, for instance