✦ LIBER ✦

Valence Bond Configuration Interaction: A Practical ab Initio Valence Bond Method That Incorporates Dynamic Correlation

✍ Scribed by Wu, Wei; Song, Lingchun; Cao, Zexing; Zhang, Qianer; Shaik, Sason

Book ID: 120349125
Publisher: American Chemical Society
Year: 2002
Tongue: English
Weight: 64 KB
Volume: 106
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp0141272

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Breathing-orbital valence bond method –

Breathing-orbital valence bond method – a modern valence bond method that includes dynamic correlation

✍ Philippe C. Hiberty; Sason Shaik 📂 Article 📅 2002 🏛 Springer 🌐 English ⚖ 264 KB

A practical valence bond method: A confi

A practical valence bond method: A configuration interaction method approach with perturbation theoretic facility

✍ Lingchun Song; Wei Wu; Qianer Zhang; Sason Shaik 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 90 KB

The previously developed valence bond configuration interaction (VBCI) method (Wu, W.; Song, L.; Cao, Z.; Zhang, Q.; Shaik, S., J. Phys. Chem. A, 2002, 105, 2721) that borrows the general CI philosophy of the MO theory, is further extended in this article, and its methodological features are improve

Vinylmethylene and the ring opening of c

Vinylmethylene and the ring opening of cyclopropene. Ab initio generalized valence bond and configuration interaction studies

✍ Davis, James H.; Goddard, William A.; Bergman, Robert G. 📂 Article 📅 1976 🏛 American Chemical Society 🌐 English ⚖ 387 KB