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- W2090947495 abstract "The phase-space distribution function corresponding to a ground-state density of a many-electron system proposed earlier is explored as a means for generation of momentum-space properties through density-functional theory. Excellent results are found for the spherically averaged Compton profiles for several atoms and the molecules ${mathrm{H}}_{2}$ and ${mathrm{N}}_{2}$, as well as the directional Compton profiles for ${mathrm{N}}_{2}$, thereby providing both a useful scheme for computation of such profiles and confirmation of the basic theory. The entropy-maximization procedure employed is discussed from the point of view of information theory." @default.
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- W2090947495 date "1986-04-14" @default.
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- W2090947495 title "Phase-Space Approach to the Density-Functional Calculation of Compton Profiles of Atoms and Molecules" @default.
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- W2090947495 doi "https://doi.org/10.1103/physrevlett.56.1555" @default.
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