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ABNORMAL WHITENING AND HARDENING OF TRANSFER SET

✍ Scribed by Sze-Kit Yuen; Siu-Wai Ko; Mei-Ling Wong; Kit-Fung Mok; Yee-Wan Yan; Sai-Ping Yong; Man-Wah Tse

Book ID
108960863
Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
167 KB
Volume
15
Category
Article
ISSN
1320-5358

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πŸ“œ SIMILAR VOLUMES

Universal basis sets and transferability
Universal basis sets and transferability of integrals
✍ David M. Silver; Stephen Wilson; W. C. Nieuwpoort πŸ“‚ Article πŸ“… 1978 πŸ› John Wiley and Sons 🌐 English βš– 213 KB

## Abstract The concept of a universal basis set for electronic structure calculation is illustrated by presenting results obtained when basis sets are transferred from one atom to another. A single Slater‐orbital basis set, consisting of nine 1__s__ and six 2__p__ functions, produces Hartree‐Fock