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Representation of the electronic continuum of with<b><i>B</i></b>-spline basis
52
Citations
32
References
1997
Year
Integrable MethodLocalized Excited StateEngineeringB-spline BasisComputational ChemistryElectronic Excited StateElectronic StructureElectronic ContinuumElectron SpectroscopyQuantum MaterialsBiophysicsQuantum SciencePhysicsAtomic PhysicsPhysical ChemistryQuantum ChemistryAb-initio MethodExcited State PropertyNatural SciencesApplied Physics
We present an integrable method with B-spline basis to describe the electronic continuum of two-electron diatomic molecules. The method is applied to obtain (i) energy positions and widths of the lowest doubly-excited states of the molecule, and (ii) photoionization cross sections of in the fixed-nuclei approximation. Our results are compared with existing theoretical and experimental works. We show the existence of avoided crossings between two series of doubly-excited states, and , converging to the ionization threshold of .
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1961 | 11K | |
1962 | 2.8K | |
1986 | 300 | |
1968 | 250 | |
1983 | 226 | |
1976 | 114 | |
1976 | 109 | |
1993 | 99 | |
1991 | 96 | |
1985 | 89 |
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