𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio adiabatic and diabatic potential-energy curves of the LiH molecule

✍ Scribed by Boutalib, A.; Gadéa, F. X.

Book ID
121797069
Publisher
American Institute of Physics
Year
1992
Tongue
English
Weight
954 KB
Volume
97
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio adiabatic and diabatic permane
Ab initio adiabatic and diabatic permanent dipoles for the low-lying states of the LiH molecule. A direct illustration of the ionic character
✍ Hamid Berriche; Florent Xavier Gadea 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 228 KB

The permanent dipole moments of the eight low-lying 1£ states of the LiH molecule are calculated by an ab initio approach for both the adiabatic and the diabatic representations. The results shed light on the interplay between the ionic and the neutral states producing a direct illustration of the i

Adiabatic and diabatic representations o
Adiabatic and diabatic representations of potential energy curves for the (NaRb)+ system
✍ T. Romero; J. de Andrés; M. Albertí; J.M. Lucas; J. Rubio; J.P. Daudey; A. Aguil 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 565 KB

Potential energy curves of (NaRb) + are investigated by an ab initio one-electron approach. The inner electrons are modelled by non-empirical relativistic pseudopotentials. The core polarization potential is included and the deviation of the core-core interaction from I/R has been corrected. The spe