A globally accurate electric dipole moment function (EDMF) is computed for the SiO molecule using large one-particle basis sets and an extensive treatment of electron correlation. A small translation of the EDMF brings the computed dipole moments for u=O-3 into good agreement with the highly accurat
Theoretical Study with Rovibrational and Dipole Moment Calculation of the SiO Molecule
β Scribed by Badreddine, Khalil; El-Kork, Nayla; Korek, Mahmoud
- Book ID
- 120025168
- Publisher
- Scientific Research Publishing
- Year
- 2013
- Weight
- 496 KB
- Volume
- 04
- Category
- Article
- ISSN
- 2153-1196
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π SIMILAR VOLUMES
Many-body perturbation theory and coupled-cluster theory are used to determine the dipole moment, polarizabilities, and their derivatives with respect to internuclear separation for the CO molecule. There are sizable errors in the dipole moment and its derivative when evaluated in the MP4(SDTQ) appr
## Abstract We use a variationβperturbation method to calculate the electric polarizabilities and the electric dipole moment of the LiH molecule. We obtain 4.455 for the perpendicular polarizability and 4.001 (Γ10^β24^ cm^3^) for the parallel polarizability. Our result for the electric dipole momen