Photoelectron spectrum of NO2−: SAC‐CI gradient study of vibrational‐rotational structures
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DOI: 10.1002/jcc.25608
Abstract: Three‐dimensional accurate potential energy surfaces around the local minima of NO2− and NO2 were calculated with the SAC/SAC‐CI analytical energy gradient method. Therefrom, the ionization photoelectron spectra of NO2−, the equilibrium geometries and adiabatic electron… read more here.
Keywords: photoelectron spectra; photoelectron; sac; gradient ... See more keywords
An experimental and theoretical study of the valence shell photoelectron spectrum of oxalyl chloride
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DOI: 10.1016/j.chemphys.2020.111050
Abstract: Abstract Polarization dependent photoelectron spectra encompassing the outer valence orbitals of oxalyl chloride have been recorded in the photon energy range 19 – 91 eV. These have allowed photoelectron anisotropy parameters and branching ratios to… read more here.
Keywords: photoelectron; oxalyl chloride; valence; photoelectron anisotropy ... See more keywords
Strong configuration interaction in the 3p photoelectron spectrum of Kr
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DOI: 10.1103/physreva.101.042505
Abstract: We measured the Kr photoelectron spectrum in the region close to the $3p$ ionization threshold. Our high-resolution measurements allowed a clear observation of spectral structures due to electron correlation effects. Analysis based on relativistic multiconfiguration… read more here.
Keywords: configuration interaction; strong configuration; photoelectron spectrum; configuration ... See more keywords
Photoelectron holography of the H2+ molecule
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DOI: 10.1140/epjd/e2020-100273-9
Abstract: We investigate the photoelectron spectrum of the H2+ target induced by few-cycle XUV laser pulses using first principle calculations. In the photoelectron spectrum, by performing calculations for different internuclear separations, we investigate how the structure… read more here.
Keywords: photoelectron; holography molecule; photoelectron holography; interference ... See more keywords