Ground State SCF-LCAO-MO Wave Function for the Carbonyl Sulfide Molecule
- 1 February 1962
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 36 (3), 750-752
- https://doi.org/10.1063/1.1732604
Abstract
The ground state SCF‐LCAO‐MO wave function for the carbonyl sulfide molecule is presented and analyzed. All the 30 electrons are included in the computation and all the integrals are accurately computed with McLean's automatic program. A brief discussion of some of the excited states is given at the end of the paper.Keywords
This publication has 11 references indexed in Scilit:
- LCAO-MO-SCF Ground State Calculations on C2H2 and CO2The Journal of Chemical Physics, 1960
- THE LOWER EXCITED STATES OF SOME SIMPLE MOLECULESCanadian Journal of Chemistry, 1958
- Microwave Spectrum of Carbon MonsulfidePhysical Review B, 1955
- Submillimeter Wave SpectroscopyPhysical Review B, 1954
- Overlap Integrals and Chemical Binding1Journal of the American Chemical Society, 1950
- Microwave Investigation of SCSePhysical Review B, 1950
- Microwave Spectroscopy in the Region from Two to Three MillimetersPhysical Review B, 1950
- The Microwave Spectrum of Carbonyl SelenidePhysical Review B, 1949
- Microwave Spectra of Some LinearMoleculesPhysical Review B, 1948
- A Rotational Analysis of Some CBands in the Near Ultraviolet SystemPhysical Review B, 1941