Accurate potential for the ground state of the hydrogen molecule
β Scribed by A. Pardo; J.M.L. Poyato; J.J. Camacho; E. Martin
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 530 KB
- Volume
- 44
- Category
- Article
- ISSN
- 1386-1425
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The Ii; ground state energy is calculated over the range of internuclear separation from R = 0.2 ZLLI to R = 8 .Q au, using a T,apIace transform-type wave function. he type functions with the weighting function f(~,p, (u) =&+9) 7 2 integral transform is made on Staterexp (-$NY/~). The electronic ene
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