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On the contribution of higher-order excitations to correlation energies: The ground state of the water molecule

✍ Scribed by Stephen Wilson; David M. Silver

Publisher: Springer
Year: 1979
Tongue: English
Weight: 433 KB
Volume: 54
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf02394620

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We report here an optimization of the parameters in an analytical representation of the potential energy function for the electronic ground state of the water molecule on the basis of experimental data. The calculations are carried out with the MORBID (Morse Oscillator Rigid Bender Internal Dynamics