Coupled-cluster evaluation of geometrical derivatives of properties using nonrelaxed orbitals
- 12 March 1987
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 32 (S21) , 487-493
- https://doi.org/10.1002/qua.560320747
Abstract
No abstract availableKeywords
This publication has 10 references indexed in Scilit:
- Property evaluation and orbital relaxation in coupled cluster methodsThe Journal of Chemical Physics, 1987
- The full CCSDT model for molecular electronic structureThe Journal of Chemical Physics, 1987
- Frequency dependent nonlinear optical properties of moleculesThe Journal of Chemical Physics, 1986
- Calculation of Dipole Moments, Polarizabilities and Their Geometrical DerivativesPublished by Springer Nature ,1986
- Analytical Evaluation of Gradients in Coupled-Cluster and Many-Body Perturbation TheoryPublished by Springer Nature ,1986
- A coupled cluster approach with triple excitationsThe Journal of Chemical Physics, 1984
- Ab initio analytical molecular gradients and HessiansThe Journal of Chemical Physics, 1983
- A full coupled-cluster singles and doubles model: The inclusion of disconnected triplesThe Journal of Chemical Physics, 1982
- Force in scf theoriesChemical Physics Letters, 1980
- Force Constants and Dipole-Moment Derivatives of Molecules from Perturbed Hartree–Fock Calculations. IThe Journal of Chemical Physics, 1968