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Compact contracted gaussian-type basis sets from Li to Ne

✍ Scribed by Hiroshi Tatewaki; Sigeru Huzinaga

Book ID: 104580142
Publisher: John Wiley and Sons
Year: 2009
Tongue: English
Weight: 589 KB
Volume: 18
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560180812

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📜 SIMILAR VOLUMES

Compact contracted gaussian-type basis s

Compact contracted gaussian-type basis sets from Na to Ar: Application to molecular calculations

✍ Yoshiko Sakai; Hiroshi Tatewaki; Sigeru Huzinaga 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 294 KB

Fully optimized contracted Gaussian basi

Fully optimized contracted Gaussian basis sets for atoms Li to Kr

✍ Schäfer, Ansgar; Horn, Hans; Ahlrichs, Reinhart 📂 Article 📅 1992 🏛 American Institute of Physics 🌐 English ⚖ 794 KB

Fully optimized contracted Gaussian basi

Fully optimized contracted Gaussian basis sets of triple zeta valence quality for atoms Li to Kr

✍ Schäfer, Ansgar; Huber, Christian; Ahlrichs, Reinhart 📂 Article 📅 1994 🏛 American Institute of Physics 🌐 English ⚖ 826 KB

A systematic preparation of new contract

A systematic preparation of new contracted Gaussian-type orbitals. IX [54/5], [64/5], [64/6], [74/6], [74/7] and MAXI-1–MAXI-5 from Li to Ne

✍ Hiroshi Tatewaki 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 890 KB

The new contracted Gaussian-type orbitals (CGTOS) for molecular calculations have been developed from Li to Ne. The CGTOs are minimal type, i.e. composed of two s-type CGTOs, sl, sz, and one p-type CGTO, pl. They are new family of cGTOS given by Tatewaki and Huzinaga, and others. In the previous wor