Self-Consistent Field Calculation of the Ground State of Methane
- 15 May 1964
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 40 (10) , 2860-2864
- https://doi.org/10.1063/1.1724917
Abstract
Ground‐state wavefunctions for CH4 have been calculated using the self‐consistent molecular orbital method of Roothaan. The molecular orbitals have been represented by linear combinations of atomic exponential orbital functions. The size of the basis set has been varied over wide limits; total energies, wave‐functions, and one‐electron energies are given for these cases.Keywords
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