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Generation of molecular clusters of controlled size

✍ Scribed by R.S. Bowles; J.J. Kolstad; J.M. Calo; R.P. Andres


Publisher
Elsevier Science
Year
1981
Weight
53 KB
Volume
106
Category
Article
ISSN
0167-2584

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Molecular application of the generalized
✍ Shigeyoshi Yamamoto; Kimihiko Hirao πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 428 KB

The generalized version of the symmetry adapted cluster theory (GSAC) which has been developed recently is nearly sizeconsistent and applicable to general classes of nonclosed-shell systems. The generality and the accuracy of the method have been tested for the symmetric dissociation of H,O. The ele