One-Electron Properties of Near-Hartree–Fock Wavefunctions. I. Water
Self-consistent-field calculations are reported for the ground state of the water molecule in a contracted and uncontracted Gaussian basis set. The uncontracted set is shown to ...
Publications
View AllEthylene Molecule in a Gaussian Basis. II. Contracted Bases
A self-consistent-field calculation on ground-state ethylene was performed using a large (sp) Gaussian basis. An upper bound to the Hartree—Fock energy and a lower bound to the ...
Institution Info
- Type
- education
- Country
- US
- Publications
- 2
- Citations
- 358
External Links
Identifiers
- ROR
- https://ror.org/015a1ak54