Convergent S. C. F. Wave Function and Properties of the Ammonia Molecule
Open Access
- 1 December 1965
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung A
- Vol. 20 (12) , 1557-1565
- https://doi.org/10.1515/zna-1965-1204
Abstract
A self consistent field wave function calculation for the ammonia molecule by the technique of accumulative accuracy is described. The molecular integrals required are calculated by numerical integration methods. Total and dissociation energies, dipole and quadrupole moments and ionization potentials calculated using the wave function are reported. The proton affinity of NH3 is also estimated.Keywords
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