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Applications of the 4×4 determinant method and the POLYGON ENGINE

✍ Scribed by Fujio Yamaguchi; Susumu Tsuda; Tanio Nagasaki


Publisher
Springer
Year
1988
Tongue
English
Weight
823 KB
Volume
4
Category
Article
ISSN
0178-2789

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📜 SIMILAR VOLUMES


The unitary coupled-cluster approach and
✍ John D. Watts; Gary W. Trucks; Rodney J. Bartlett 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 634 KB

The evaluation of the energy and analytical energy gradient of the new unitary coupled-cluster method, UCC(4), are described, and initial numerical results for this method are reported. UCC(4) energies. molecular geometries, vibrational frequencies, and &pole moments are compared with results given