Ab initio calculation of the KRb dipole moments
β Scribed by Kotochigova, S.; Julienne, P. S.; Tiesinga, E.
- Book ID
- 121409501
- Publisher
- The American Physical Society
- Year
- 2003
- Tongue
- English
- Weight
- 82 KB
- Volume
- 68
- Category
- Article
- ISSN
- 1050-2947
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π SIMILAR VOLUMES
The potential energy and dipole moment functions of the X 2fI ground state of the GeH radical have been computed using highly correlated SCEP CEPA electronic wavefunctions. The calculated dipole moment pa in the vibrational ground state is 0.16 D (Ge+ H-). This result questions the value of 1.24 D
Using a gaussian Lobe basis set nearly cquivalcnt to the double-zeta Sl;lter type orbital basis set, the principal force constants and rhe derivatives of the electric dipole moment are nIcuIated. The force constants are found to be in scltisktory agreement with csperimentol
## Abstract The electron spin dipoleβdipole interaction in CH~2~ has been calculated as a function of bond angle with configurationβinteraction wave functions built from contracted gaussianlobe basis functions. The values __D__ = 0.781 cm^β1^ and __E__ = 0.050 cm^β1^ were obtained for the spin dipo
The structures and dipole moments of the four low-lying electronic states (X 211, A \*A, B 'C -and C \*Z ' ) of the linear CCN radical are investigated by ab initio calculations at SDCIlDZP and TZP levels. For all the electronically excited states, the dipole moments are calculated to be z 3.0 D. Ho