𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio calculation of quadrupole moments of CO2 and N2 molecules as functions of nuclear geometry

✍ Scribed by GIANTURCO, F. A.

Book ID
121499498
Publisher
Taylor and Francis Group
Year
1996
Tongue
English
Weight
357 KB
Volume
89
Category
Article
ISSN
0026-8976

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Size-consistent ab initio calculation of
Size-consistent ab initio calculation of the electric quadrupole moment of Cl2
✍ J.M. Junquera-HernΓ‘ndez; J. SΓ‘nchez-MarΔ±́n; V. PΓ©rez-MondΓ©jar; A.SΓ‘nc πŸ“‚ Article πŸ“… 2003 πŸ› Elsevier Science 🌐 English βš– 231 KB

The molecular electric quadrupole moment (H) of Cl 2 has been calculated using SDCI, and (SC) 2 -SDCI wave functions as well as CCSD, CCSD(T), and CC3 methods. All these correlation methods are single reference. All of them, but SDCI, are free of the size-extensivity error. The variation of H from t