The relativistic correction to the excitation energy of formaldehyde
โ Scribed by Philip Phillips; Ernest R. Davidson
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 407 KB
- Volume
- 78
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Relativistic corrections to the bond lengths, dissociation energies and harmonic frequencies of RF, RbF and CsF have been obtained at the self-consistent field level by dissociating to ions. The relativistic corrections to the bond lengths, harmonic frequencies and dissociation energies to the ions
The lowest order relativistic corrections to the electronic energies have been computed for the B 1E u state of H 2 in the interval 1.0 ~< R ~< 30 a 0. The total correction at the equilibrium separation, R = 2.43 a o amounts to -2.126 cm-1. The absolute shifts of the vibrational levels of H 2 change
The relativistic Tamm-Dancoff approximation method is formulated, and is tested on the C2,-formaldehyde. The vertical excitation energies, the zero-fieldsplitting parameters, and the radiative lifetimes are ca!cuIated, and are compared with the experimental data.