✦ LIBER ✦

Doubly contracted CI method and applications

✍ Scribed by Yubin Wang; Huixian Han; Gaohong Zhai; Bin Suo; Zhenyi Wen

Book ID: 111784206
Publisher: SP Science China Press
Year: 2004
Tongue: English
Weight: 210 KB
Volume: 47
Category: Article
ISSN: 1674-7291
DOI: 10.1360/03yb0256

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An adjustable contracted CI method

✍ Yubin Wang; Zhengting Gan; Kehe Su; Zhenyi Wen 📂 Article 📅 1999 🏛 SP Science China Press 🌐 English ⚖ 405 KB

CAS SCF and contracted CI calculations o

CAS SCF and contracted CI calculations on the HO3 radical

✍ Kirsten Broch Mathisen; Per E.M. Siegbahn 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 494 KB

Contracted and uncontracted oscillator o

Contracted and uncontracted oscillator orbitals in CI calculations on two electron systems

✍ Giuliano Alagona; Jacopo Tomasi 📂 Article 📅 1972 🏛 Springer 🌐 English ⚖ 436 KB

CI software applications: Information te

CI software applications: Information technology and effective CI organizations

✍ David I. Closs; Cornelia L. Droge 📂 Article 📅 1990 🏛 John Wiley and Sons ⚖ 300 KB

Contracted CI calculations of models for

Contracted CI calculations of models for catalytic reactions involving transition metals

✍ M. Blomberg; U. Brandemark; L. Pettersson; P. Siegbahn 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 537 KB

Comparison of slater and contracted gaus

Comparison of slater and contracted gaussian basis sets in SCF and CI calculations on H2O

✍ R.P. Hosteny; R.R. Gilman; T.H. Dunning Jr.; A. Pipano; I. Shavitt 📂 Article 📅 1970 🏛 Elsevier Science 🌐 English ⚖ 303 KB

A series of SCF and CI calculations for the electronic ground state of H,O have been carried out with two different 14-function basis sets; one a Clementi-type double zeta ST0 l%sis and the other a contracted GTO set. The results obtained with the two bases are compared and analyzed in terms of inne