Applications of Variational-Perturbation Theory to Molecules. I. The Water Molecule
- 1 May 1970
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 52 (9) , 4407-4409
- https://doi.org/10.1063/1.1673664
Abstract
The energy of the ground state of the water molecule is obtained through the second order using the Rayleigh–Schrödinger variational-perturbation method. The resultant value of − 75.9935 a.u. differs from the exact nonrelativistic energy by 0.6%. The method is applicable to other hydrides.Keywords
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