ISSN:
1434-6079
Keywords:
31.20.Di
;
31.50+w
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract Ab initio multi-reference configuration interaction (MRD CI) calculations were carried out for the potential energy curves of the first 17 electronic states of the CsH molecule up to large bond distances (20 bohr). The1Σ+ states were also calculated by means of relativistic all-electron SCF and CI using the spin-free no-pair operator with external field projectors. For the low-lying states, the spectroscopic parameters were determined. Dipole moments as well as the transition dipole moments: μ(X 1 Σ+ →A 1 Σ+), μ(X 1 Σ+ →B 1 Σ+), μ(A 1 Σ+ →B 1 Σ+), were also calculated. Non-relativistic and relativistic results are compared. An analysis of the interactions in the1,3Σ+ states is also proposed.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01398899
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