Exploiting the link between CI and the coupled cluster model. estimates for cluster energies and wavefunctions and a means for the rapid determination of CCD wavefunctions
- 1 April 1982
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 88 (2) , 202-207
- https://doi.org/10.1016/0009-2614(82)83368-x
Abstract
No abstract availableThis publication has 30 references indexed in Scilit:
- Ionization energies of water from PNO-CI calculationsInternational Journal of Quantum Chemistry, 2009
- Higher-order electron correlation effects in triatomic potential energy surfaces. Stretching vibrations of HCN and HNCThe Journal of Chemical Physics, 1981
- Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in MoleculesAnnual Review of Physical Chemistry, 1981
- An AB initio prediction of the J = 1-0 transition frequency of HNCH/+1/The Astrophysical Journal, 1980
- The equilibrium structure and rotational constant of HCC+The Journal of Chemical Physics, 1979
- The quartic force field of H2O determined by many-body methods that include quadruple excitation effectsThe Journal of Chemical Physics, 1979
- Unlinked cluster effects in molecular electronic structure. II. Pair correlations in the molecules HCN and HNCThe Journal of Chemical Physics, 1978
- Unlinked cluster effects in molecular electronic structure. I. The HCN and HNC moleculesThe Journal of Chemical Physics, 1978
- Configuration interaction calculations on the nitrogen moleculeInternational Journal of Quantum Chemistry, 1974
- PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methaneThe Journal of Chemical Physics, 1973