Photoabsorption in H2O: Stieltjes-Tchebycheff calculations in the time-dependent Hartree-Fock approximation |
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| Authors: | Geoffrey R.J. Williams P.W. Langhoff |
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| Affiliation: | Department of Theoretical Chemistry, The University of Sydney, N.S.W., Australia 2006;Department of Chemistry, Indiana University, Bloomington, Indiana 47401, USA;Computational Chemistry Group, NASA-Ames Research Center, Moffett Field, California 94035, USA;Department of Aeronautics and Astronautics, Stanford University, Stanford, California 94305, USA |
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| Abstract: | ![]()
Total and partial-channel photoabsorption cross-section calculations in H2O are reported employing the time-dependent Hartree-Fock approximation and Stieltjes-Tchebycheff imaging procedures, and comparisons are made with the corresponding results of recent (e, 2e), (e, e + ion), and synchrotron-radiation dipole oscillator-strength studies. |
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