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- W2218453834 abstract "The electrons in the lowest occupied valence orbital (LOVO) of molecules have been found to dominate the gamma-ray spectra in the positron–electron annihilation process. The mechanism of this phenomenon is revealed in the present work for the first time. Theoretical quantitative analyses are applied to all noble gas atoms and molecules CH4, O2, C6H6, and C6H14. More than 70% of LOVO electrons and less than 30% of highest occupied molecular orbital (HOMO) electrons distribute within the full width at half-maximum (FWHM) region of the momentum spectra averagely. This indicates that the LOVO electrons have at least 2 times of probabilities than the HOMO electrons within this area. The predicted positron annihilation spectra are then generally dominated by the innermost LOVO electrons instead of the outmost HOMO electrons under the plane-wave approximation." @default.
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- W2218453834 date "2014-05-15" @default.
- W2218453834 modified "2023-10-16" @default.
- W2218453834 title "LOVO Electrons: The Special Electrons of Molecules in Positron Annihilation Process" @default.
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- W2218453834 doi "https://doi.org/10.7566/jpsj.83.054301" @default.
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