Selection of the reduced virtual space for correlated calculations. An application to the energy and dipole moment of H2O

Chemical Physics Letters

Volumn 159, Issue 2-3, 1989, Pages 148-154

  Sosa, Carlos ^a   Geertsen, Jan ^a   Trucks, Gary W ^a   Bartlett, Rodney J ^a   Franz, James A ^b  

^a UNIVERSITY OF FLORIDA   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 4243308138     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(89)87399-3     Document Type: Article

References (21)

1. Determination of the relative stability of fluorocytosine tautomers with single and double excitation coupled-cluster (CCSD) method
2. PNO[Single Bond]CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane
3. On the calculation of natural orbitals by perturbation theory
4. Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules