On the perturbation operator in ab initio theories of intermolecular interactions
✍ Scribed by Péter R. Surján
- Book ID
- 113257161
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 517 KB
- Volume
- 226
- Category
- Article
- ISSN
- 0166-1280
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📜 SIMILAR VOLUMES
## Abstract The interaction energy between two water molecules A and B is calculated by the method described in Paper I [1], previously applied for the interaction between two helium atoms (Paper II) [2]. This interaction energy is obtained as the difference between the energies of the complex (A +
The first-order function an9 the second-orde r energy of a perturbation theory proposed by the present author are evaluated for H2, by means of a Hylleraas variation principle adapted to this theory. It is found that thus a considerable improvement of the wave function and the energy respectively is
## Abstract The ground state energy of the He~2~ system is calculated according to the techniques described in Paper I around the van der Waals equilibrium, without assuming the constancy of the intraatomic correlation energies. The second‐order results do not present an attractive region; the __S_