Structure of the Ground State of HCN
- 1 August 1962
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 37 (3) , 627-630
- https://doi.org/10.1063/1.1701386
Abstract
A wave function is presented for the ground state of HCN calculated in the LCAO MO SCF approximation. All integrals needed to compute the expectation value of the energy of the molecule were computed accurately. The results of a population analysis on the wave function are reported.Keywords
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