Bonding in B-2 and B-2(+): Insights from full configuration interaction and valence bond studies

Rashid, Z; van Lenthe, JH; Havenith, RWA

Havenith, RWA (reprint author), Univ Groningen, Zernike Inst Adv Mat, Nijenborgh 4, NL-9747 AG Groningen, Netherlands.; Havenith, RWA (reprint author), Univ Groningen, Stratingh Inst Chem, Nijenborgh 4, NL-9747 AG Groningen, Netherlands.

COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2017; 1116 ( ): 92

Abstract

Full Configuration Interaction (Full-CI) and Valence Bond Self-Consistent Field (VBSCF) methods have been used to study the electronic structure and b......

Full Text Link


Links

期刊讨论 | 中国SCI论文 | 期刊主页 | 投稿经验 | 杂志官网 | 投稿链接 | 作者需知 | PMC链接 | Pubmed全文检索