Variable bases in SCF MO calculations
- 15 April 1970
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 5 (5), 260-264
- https://doi.org/10.1016/0009-2614(70)85134-x
Abstract
No abstract availableThis publication has 16 references indexed in Scilit:
- SCF Wavefunctions for the NH3 Molecule. Potential-Energy Surface and Vibrational Force ConstantsThe Journal of Chemical Physics, 1968
- SCF-MO's and Molecular Properties of MethaneThe Journal of Chemical Physics, 1968
- One-Electron Properties of Near-Hartree–Fock Wavefunctions. I. WaterThe Journal of Chemical Physics, 1968
- Force Constants and Dipole-Moment Derivatives of Molecules from Perturbed Hartree–Fock Calculations. II. Applications to Limited Basis-Set SCF–MO WavefunctionsThe Journal of Chemical Physics, 1968
- Force Constants and Dipole-Moment Derivatives of Molecules from Perturbed Hartree–Fock Calculations. IThe Journal of Chemical Physics, 1968
- Magnetic Properties of Polyatomic Molecules. I. Magnetic Susceptibility of H2O, NH3, CH4, H2O2The Journal of Chemical Physics, 1968
- Electric polarizability of polyatomic moleculesChemical Physics Letters, 1967
- Optimization of the basis functions in SCF MO calculations optimized one-center SCF MO basis set for HCLTheoretical Chemistry Accounts, 1967
- Perturbed Hartree—Fock Calculations. I. Magnetic Susceptibility and Shielding in the LiH MoleculeThe Journal of Chemical Physics, 1963
- Perturbation Theory for the Fock-Dirac Density MatrixPhysical Review B, 1962