✦ LIBER ✦

Valence bond study on excited states of molecules

✍ Scribed by Zexing Cao; Wei Wu; Qianer Zhang

Book ID: 105638427
Publisher: SP Science China Press
Year: 1997
Tongue: English
Weight: 303 KB
Volume: 40
Category: Article
ISSN: 1674-7291
DOI: 10.1007/bf02875426

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The valence bond Aufbau principle for mo

The valence bond Aufbau principle for molecular excited states

✍ David L. Huestis; William A. Goddard III 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 559 KB

Strong bonding in a doubly excited valen

Strong bonding in a doubly excited valence state of a van der Waals molecule

✍ Allen W.K. Leung; Mark Roberson; Jack Simons; W.H. Breckenridge 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 315 KB

The results of ab initio calculations, using extended Gaussian basis sets and including correlation energy through a variety of means, provide strong support for the Mg(3p'tr,3p~" 3py). Ar(aE-) electronic-state assignment made by Massick and Breckenridge to spectral features in the resonant two-phot

Valence-bond studies of AH2molecules

✍ Robert G. A. R. Maclagan; Gary W. Schnuelle 📂 Article 📅 1977 🏛 Springer 🌐 English ⚖ 448 KB

Valence-bond studies of AH2molecules

✍ Ian J. Doonan; Robert G. A. R. Maclagan 📂 Article 📅 1978 🏛 Springer 🌐 English ⚖ 272 KB

Valence bond studies of AH2molecules

✍ Robert G. A. R. Maclagan; H. David Todd 📂 Article 📅 1974 🏛 Springer 🌐 English ⚖ 593 KB

Modern valence bond descriptions of mole

Modern valence bond descriptions of molecular excited states: An application of CASVB

✍ Thorstein Thorsteinsson; David L. Cooper 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 466 KB 👁 2 views

The valence bond description of excited states is considered in the context of the CASVB approach, with emphasis on the simultaneous optimization of orbitals and structure coefficients for highly general types of wave function, as well as Ž . the close connection to the complete active space self-co