Ab initio calculation of the dipole moment of He-Ar and the collision-induced absorption spectra
β Scribed by Meyer, Wilfried; Frommhold, Lothar
- Book ID
- 121328406
- Publisher
- The American Physical Society
- Year
- 1986
- Tongue
- English
- Weight
- 659 KB
- Volume
- 33
- Category
- Article
- ISSN
- 1050-2947
No coin nor oath required. For personal study only.
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