Molecular photoionization in the linear algebraic approach H2, N2, NO, and CO2

Details Molecular photoionization in the linear algebraic approach H2, N2, NO, and CO2 Molecular photoionization in the linear algebraic approach H2, N2, NO, and CO2

Apr 1984

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1984phrva..29.1695c&link_type=abstract

Physical Review A - General Physics, 3rd Series (ISSN 0556-2791), vol. 29, April 1984, p. 1695-1708. Research sponsored by the U

Physics

General Physics

72

Ionization Cross Sections, Linear Transformations, Molecular Ions, Molecular Theory, Photoionization, Carbon Dioxide, Hartree Approximation, Hydrogen, Nitric Oxide, Nitrogen

Scientific paper

The linear algebraic method is extended to the calculation of molecular photoionization cross sections. The formulation is primarily developed in the fixed-nuclei, Hartree-Fock, and frozen-core approximations, although correlation effects in the scattering solution are introduced through an effective optical potential. The single-center expansion and close-coupling approximations are invoked to give converged scattering solutions. Cross sections and asymmetry parameters are reported for photoionization from the ground state of H2, N2, NO, and CO2. Very good agreement with the Schwinger variational results of McKoy and co-workers for all molecular systems is obtained. For NO and CO2, substantial disagreements with the Stieltjes calculations for some symmetries are found.

Affiliated with

Also associated with

No associations

Rating

Molecular photoionization in the linear algebraic approach H2, N2, NO, and CO2 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 Molecular photoionization in the linear algebraic approach H2, N2, NO, and CO2, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Molecular photoionization in the linear algebraic approach H2, N2, NO, and CO2 will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-1501529