Theoretical study with dipole moment calculation of new electronic states of the molecule BF

Theoretical study with dipole moment calculation of new electronic states of the molecule BF

The potential energy curves for the 45 singlet, triplet, and quintet electronic states in the representation 2s+1Λ(+/-) of the BF molecule have been investigated using the complete active space self-consistent field (CASSCF) method with multireference configuration interaction (MRCI). The internucle...

Full description

Bibliographic Details
Main Authors: Al Shawa Sally, El-Kork Nayla, Younes Ghassan, Korek Mahmoud
Format: Article
Language:English
Published: De Gruyter 2016-06-01
Series:Nanotechnology Reviews
Subjects:
ab initio calculation
dipole moments
electronic structure
potential energy curves
spectroscopic constants
Online Access:https://doi.org/10.1515/ntrev-2015-0006

Internet

https://doi.org/10.1515/ntrev-2015-0006

Similar Items