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- W1997366909 abstract "Abstract A study of electron momentum density distribution in Cd 3 P 2 is reported in this work. The measurement of Compton profile is carried out on a polycrystalline sample using 59.54 keV gamma-rays emanating from an 241 Am radioisotope. The theoretical calculations are performed using linear combination of atomic orbitals method following the Hartree–Fock and a posteriori density functional theories. The spherically averaged theoretical Compton profiles are in good agreement with the measurement. The best agreement is, however, shown by the Hartree–Fock scheme. Simple ionic model calculations for a number of configurations ( Cd + x ) 3 ( P − 3 x / 2 ) 2 ( 0.0 ⩽ x ⩽ 2.0 in step of 0.2) are also performed utilizing free atom profiles. The ionic model supports transfer of 2.0 electrons per Cd atom from 5 s state to 3 p state of P." @default.
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- W1997366909 date "2011-09-01" @default.
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- W1997366909 title "Electron momentum density distribution in Cd3P2" @default.
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- W1997366909 doi "https://doi.org/10.1016/j.cpc.2010.12.024" @default.
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