Physics – Chemical Physics
Scientific paper
Aug 1986
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1986jchph..85.2099s&link_type=abstract
Journal of Chemical Physics (ISSN 0021-9606), vol. 85, Aug. 15, 1986, p. 2099-2104.
Physics
Chemical Physics
22
Configuration Interaction, Ground State, Hydroxyl Radicals, Photodissociation, Rydberg Series, Self Consistent Fields, Adiabatic Conditions, Atomic Excitations, Molecular Orbitals, Spectroscopy, Wave Functions
Scientific paper
Calculations of the photodissociating transitions from the ground state of OH(+) are presented. Potential curves for the lowest three 3Sigma(-) and lowest three 3Pi states as well as the matrix elements connecting them to the ground state were obtained by CASSCF/CI techniques. The Rydberg nature of the excited states at small internuclear distances is investigated by obtaining an optimized Rydberg orbital and enlarging the active space in the CI calculation. The identification of the Rydberg states is found to depend sensitively on the procedure used to characterize the states. Transition dipole moments between the ground and excited states are evaluated and used to calculate photodissociation cross sections. The OH(+) ion has been observed in comet spectra and photodissociation is expected to be the dominant destruction process of most species in comets.
Liu Baoling
Saxon Roberta P.
No associations
LandOfFree
Theoretical study of OH(+) - Potential curves, transition moments, and photodissociation cross sections does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Theoretical study of OH(+) - Potential curves, transition moments, and photodissociation cross sections, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Theoretical study of OH(+) - Potential curves, transition moments, and photodissociation cross sections will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-893368