An extended geminal model calculation of the dissociation energy of the ground state of Li2
✍ Scribed by I. Røeggen
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 571 KB
- Volume
- 92
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The dluocutlon energy of the ground state of the LIZ molecule has been calculated by usmg an extended gemti model.
The ulculated result is 1.024 cV and the e_~perimcntal value is 1.0-18 f 0 013 eV. The diserepncy can at least pvlly be attrlbutcd to a dciicrency III tic orbr14 basu set.
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Detailed calculations of the interaction potentials oFs:veral electronic states of the Li; molecule have been czkd out in which t'nc mclecule is described as a sir& electron moving in the field of two polarizd~le COICS-. Comparison with the ab initio mnny-dectron calculations of Michels su\_gests th
A comparison is presented for the ground state of the helium atom of high order Rayleigh-Schri)dinger perturbation theories based upon a hydrogenic. a screened hydrogenic, a Hartree and a modified Hartree local zero-order hamiltonian. The hydrogenic zero-order schemes are superior tc the Hartree zer
An expression of the ground state energy E SB of the spin-boson Hamiltonian H SB is considered. The expression in the cases of both massive and massless bosons is given by a nonperturbative method. By using the expression, we show a necessary and sufficient condition with respect to a parameter G #