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Extended floating spherical Gaussian basis sets for Molecules. FSGO basis for use in advanced correlated calculations of electronic structures

✍ Scribed by Ludwik Adamowicz; Rodney J. Bartlett

Publisher: Elsevier Science
Year: 1984
Tongue: English
Weight: 382 KB
Volume: 110
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(84)85443-3

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✍ Ludwik Adamowicz; Rodney J. Bartlett 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 398 KB

A procedure previousiy described for representin: Iarge basis SCFresultsin rerms of a smalicr floating spherical Gaussian orbital (FSGO) basis set is generalized IO apply to the virrual orbit& from 111~ SCF calculation. This provides 3 rnc~hod for systematically reducing the dimensions of the virtua

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