✦ LIBER ✦

Extensive ab initio study of the electronic states of S 2 molecule including spin-orbit coupling

✍ Scribed by Xing, Wei; Shi, Deheng; Sun, Jinfeng; Liu, Hui; Zhu, Zunlue

Book ID: 118039657
Publisher: Taylor and Francis Group
Year: 2013
Tongue: English
Weight: 451 KB
Volume: 111
Category: Article
ISSN: 0026-8976
DOI: 10.1080/00268976.2012.741721

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Extensive ab initio study of the electro

Extensive ab initio study of the electronic states of CP radical including spin–orbit coupling

✍ D.H. Shi; W. Xing; J.F. Sun; Z.L. Zhu; Y.F. Liu 📂 Article 📅 2012 🏛 Elsevier Science 🌐 English ⚖ 582 KB

Extensive theoretical study on the low-l

Extensive theoretical study on the low-lying electronic states of silicon monofluoride cation including spin-orbit coupling

✍ Kun Liu; Wensheng Bian 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 190 KB

## Abstract __Ab initio__ calculations on the low‐lying electronic states of SiF^+^ are performed using the internally contracted multireference configuration interaction method with the Davidson correction and entirely uncontracted aug‐cc‐pV5Z basis set. The effects of spin‐orbit coupling are acco

Ab initio study of the spin–orbit coupli

Ab initio study of the spin–orbit coupling between the A and b3 Π u electronic states of Na2

✍ Soorkia, S.; Le Quéré, F.; Léonard, C.; Figgen, D. 📂 Article 📅 2007 🏛 Taylor and Francis Group 🌐 English ⚖ 229 KB

Accurate ab initio study on the A2Π, 14Σ

Accurate ab initio study on the A2Π, 14Σ+, 14Π, 24Π and 16Σ+ electronic states of AlO radical including spin–orbit coupling

✍ Hui Liu; Deheng Shi; Jinfeng Sun; Zunlue Zhu 📂 Article 📅 2013 🏛 Elsevier Science 🌐 English ⚖ 465 KB

The electronic spectrum of AgBr2: Ab ini

The electronic spectrum of AgBr2: Ab initio benchmark vs. DFT calculations on the lowest ligand-field states including spin–orbit effects

✍ I. Santoyo-Castillo; A. Ramírez-Solís 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 358 KB

Extensive theoretical study on electroni

Extensive theoretical study on electronically excited states and predissociation mechanisms of sulfur monoxide including spin–orbit coupling

✍ Le Yu; Wensheng Bian 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 296 KB

The potential energy curves of the 69 X states generated from the 24 L-S states of sulfur monoxide are calculated for the first time using the internally contracted multireference configuration interaction method with the Davidson correction and the entirely uncontracted aug-cc-pV5Z basis set. Spin-