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The variational R -matrix approach for photoionization has been modified in two ways to treat Rydberg excited states of large radius: (1) the large residual contributions to dipole transition and normalization integrals outside the R -matrix radius are treated analytically, and (2) the amplitude of Rydberg functions on the boundary is considered explicitly. Photoionization cross sections as a function of energy are reported for 2 p 4 O ( 3 P) ground-state atomic oxygen and for O + ( 4 S)3p P 3 excited-state oxygen and compared with previous work, where available. The excited-state cross section is in excellent agreement with limited experimental data. A Cooper minimum is predicted in the excited-state partial cross section to the O + ( 4 S)εd continuum. A systematic study of the effect of electronic correlation in the configuration-interaction (CI) expansion of the wave function inside the R matrix is reported. The location of the Cooper minimum is the feature that is most sensitive to the CI representation used.
Physical Review A – American Physical Society (APS)
Published: Feb 1, 1989
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