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A computational form for löwdin's alpha function

✍ Scribed by K. J. Duff


Book ID
104577835
Publisher
John Wiley and Sons
Year
1971
Tongue
English
Weight
102 KB
Volume
5
Category
Article
ISSN
0020-7608

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📜 SIMILAR VOLUMES


Analytic Löwdin alpha-function method fo
✍ Herbert W. Jones 📂 Article 📅 1991 🏛 John Wiley and Sons 🌐 English ⚖ 410 KB

Using the Lowdin alpha-function method in which displaced orbitals are expanded in spherical harmonics, two-center, two-electron repulsion integrals of the Coulomb, hybrid, and exchange type are done analytically using Slater-type orbitals. Computer algebra and integer arithmetic are used to obtain

A study of Löwdin's criterion for comple
✍ J. G. Leopold; M. Cohen; J. Katriel 📂 Article 📅 1976 🏛 John Wiley and Sons 🌐 English ⚖ 278 KB

## Abstract Löwdin has formulated a useful criterion for testing the completeness of an expansion basis set. From this criterion one may obtain an __incompleteness coefficient__ for a truncated (finite) basis set. We have investigated the significance of this incompleteness coefficient for some of