Ab initio evaluation of the five-photon ionization cross sections of nitric oxide
β Scribed by Pietro Cremaschi
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 717 KB
- Volume
- 63
- Category
- Article
- ISSN
- 0301-0104
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π SIMILAR VOLUMES
We present a complete ab initio study of the photodissociation of water in the first absorption band includmg a calculated excited-state potential and a calculated transition dipole function. The dynamical treatment is based on the IOS approximation for the rotational degree of freedom. The vibratio
The two-photon absorption cross section of X IS+ g -(E.F) '$ of Hz has been computed ush~g near full CI wavefunctions. The convergence of the two-photon transition amplitude iskhieved by enforcb the variational wavefunctions to satisfy the off-diagonal S(O) and St--1) sum rules. The theoretical cros
## Abstract A modified integral package for evaluation of twoβelectron integrals over Gaussian basis functions is described. Modifications are implemented in the MOLECULE program system and are especially suited for the study of large molecules and molecular complexes.