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- W1985158380 abstract "Abstract Compton profiles (CP's) calculated from single- and double-gaussian versions of the floating spherical gaussian orbital (FSGO) model are compared with experiment. The CP's calculated from the single-gaussian version die out faster than the experimental CP's due to ill-presented inner shell. The double-gaussian version improves the agreement with the experimental CP's substantially. A remarkable empirical correlation between the molecular energy and the J (0) value as well as the width of the CP, J 0.5 , has been observed for the ten-electron series of molecules within the double-gaussian frameworks." @default.
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- W1985158380 date "1977-09-01" @default.
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- W1985158380 title "Single- and double-gaussian FSGO model and compton profiles" @default.
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- W1985158380 doi "https://doi.org/10.1016/0009-2614(77)80173-5" @default.
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