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Generation of symmetry-adapted functions for molecular calculations

✍ Scribed by Lubomír Skála

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
33 KB
Volume
35
Category
Article
ISSN
0010-4655

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📜 SIMILAR VOLUMES

A new version of the program for the gen
A new version of the program for the generation of symmetry-adapted functions for molecular calculations
✍ Lubomír Skála 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 69 KB

## Title of version: SYMMET version 2 Nature of physical problem The group theory is used for the classification of the electron Catalogue number: ABRA states of molecules and the transformation of the matrix eigenvalue problem to a quasidiagonal form. If the p-basis on Program obtainable from: CP

Molecular application of the generalized
Molecular application of the generalized symmetry adapted cluster theory
✍ Shigeyoshi Yamamoto; Kimihiko Hirao 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 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