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A procedure to obtain an accurate approximation to a full CI wavefunction

✍ Scribed by Ramon Carbó-Dorca; Emili Besalú

Book ID
105102238
Publisher
Springer
Year
1996
Tongue
English
Weight
529 KB
Volume
20
Category
Article
ISSN
0259-9791

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📜 SIMILAR VOLUMES

A wavefunction operator approach to the
A wavefunction operator approach to the full-CI problem
✍ A.V. Luzanov; A.L. Wulfov; V.O. Krouglov 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 476 KB

A new algorithm for the full-C1 problem in a determinantal basis is presented. Configurational coefftcients, being packed into the matrix of some wavefunction operator, are found from a suitable matrix equation. Combination of the variational CI problem in some restricted space with second-order per