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• W1970296319 startingPage "913" @default.
• W1970296319 abstract "It is argued that experimental determinations of the one-electron density matrix of crystalline systems, γ1(r,r´), based on directional Compton profiles and X-ray structure factors could be useful to assess the quality of computational techniques which take electron correlation effects into account. A scheme is here outlined for evaluating the correlation correction to the Hartree–Fock one-electron density, starting from the solution obtained for the periodic system at a perturbative MPn level. The case of crystalline lithium hydride is discussed. Preliminary MP2 results for that system are presented, obtained using a local-correlation approach." @default.
• W1970296319 created "2016-06-24" @default.
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• W1970296319 date "2006-07-01" @default.
• W1970296319 modified "2023-10-16" @default.
• W1970296319 title "On the Prospective Use of the One-Electron Density Matrix as a Test of the Quality of Post-Hartree–Fock Schemes for Crystals" @default.
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• W1970296319 doi "https://doi.org/10.1524/zpch.2006.220.7.913" @default.
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