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energy-level calculations with the extended AROVMI model

✍ Scribed by S.M. Abecasis; F.R. Femenia


Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
405 KB
Volume
7
Category
Article
ISSN
0010-4655

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πŸ“œ SIMILAR VOLUMES


Energy level calculations in Davydov mod
✍ S.M. Abecasis; F.R. Femenia; E.S. Hernandez πŸ“‚ Article πŸ“… 1971 πŸ› Elsevier Science 🌐 English βš– 485 KB
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The reliability of various modiGcations of the extended-Hiickel m&hod in calculating several energy-related quantities was investigated for a group of diatomic mo!ecules. It was found that the total ener,gy cdn be computed fairly accurately, the nccuracy increasing ns the charge distribution is more

An extended geminal model calculation of
✍ I. RΓΈeggen πŸ“‚ Article πŸ“… 1982 πŸ› Elsevier Science 🌐 English βš– 571 KB

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.