Potential energy surfaces of the low-lying electronic states of the Li + LiCs system
@article{Jasik2018PotentialES,
title={Potential energy surfaces of the low-lying electronic states of the Li + LiCs system},
author={Patryk Jasik and T. Kilich and J Kozicki and J{\'o}zef E Sienkiewicz},
journal={Chemical Physics Letters},
year={2018},
volume={695},
pages={119-124}
}
One Citation
Electronic structure and rovibrational predissociation of the 21Π state in KLi.
- PhysicsPhysical chemistry chemical physics : PCCP
- 2018
Very good agreement between the calculated and the experimental curve of the 21Π state allowed for a reliable description of the dissociation process through a small (∼20 cm-1 for J = 0) potential energy barrier.
References
SHOWING 1-10 OF 32 REFERENCES
Theoretical study of highly-excited states of KRb molecule
- Chemistry, Physics
- 2012
Semi-empirical adiabatic potential energy curves of highly excited states of the KRb molecule are calculated as a function of the internuclear distance R over a wide range from 3 to 150 a0. The…
The adiabatic potentials of low-lying electronic states of the NaRb molecule
- Physics, Chemistry
- 2015
Adiabatic potential energy curves and spectroscopic constants have been calculated for the NaRb molecule. The results of ten states of the symmetry &Sgr; + ?> , six states of the symmetry Π, and two…
On the doublet states of the potassium trimer.
- ChemistryThe Journal of chemical physics
- 2008
One-dimensional cuts through the lowest 12 electronic states at C(2v) symmetry give insight in the complex electronic structure of the trimer, showing several (pseudo-)Jahn-Teller distortions that involve two or three excited states.
Lowest quartet states of heteronuclear alkali-metal trimers
- Chemistry, Physics
- 2010
We analyze three-body nonadditive interactions and characterize critical points on potential energy surfaces of the lowest A{sub 2}B (A,B=Li,Na,K,Rb,Cs) quartet states using high-level ab initio…
Three-body nonadditive forces between spin-polarized alkali-metal atoms
- Physics, Materials Science
- 2003
Three-body nonadditive forces in systems of three spin-polarized alkali-metal atoms (Li, Na, K, Rb, and Cs) are investigated using high-level ab initio calculations. The nonadditive forces are found…
The 41Σ+ electronic state of LiCs molecule
- Physics
- 2013
The 41Σ+ state of LiCs molecule is observed experimentally for the first time. The inverted perturbation approach (IPA) method is used to derive the potential energy curve of the state from the…
A proper account of core-polarization with pseudopotentials: single valence-electron alkali compounds
- Chemistry, Physics
- 1982
Reactions of ultracold alkali-metal dimers
- Chemistry, Physics
- 2010
We investigate the energetics of reactions involving pairs of alkali-metal dimers. Atom exchange reactions to form homonuclear dimers are energetically allowed for some but not all of the…