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• W2007698561 abstract "We introduce the intex density X(R,u), which combines both the intracular and extracular coordinates to yield a simultaneous probability density for the position of the center-of-mass radius (R) and relative separation (u) of electron pairs. One of the principle applications of the intex density is to investigate the origin of the recently observed secondary Coulomb hole. The Hartree-Fock (HF) intex densities for the helium atom and heliumlike ions are symmetric functions that may be used to prove the isomorphism 2I(2R)=E(R), where I(u) is the intracule density and E(R) is the extracule density. This is not true of the densities that we have constructed from explicitly correlated wave functions. The difference between these asymmetric functions and their symmetric HF counterparts produces a topologically rich intex correlation hole. From the intex hole distributions (X(exact)(R,u)-X(HF)(R,u)), we conclude that the probability of observing an electron pair with a very large interelectronic separation increases with the inclusion of correlation only when their center-of-mass radius is close to half of their separation." @default.
• W2007698561 created "2016-06-24" @default.
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• W2007698561 date "2010-10-06" @default.
• W2007698561 modified "2023-10-16" @default.
• W2007698561 title "A simultaneous probability density for the intracule and extracule coordinates" @default.
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• W2007698561 doi "https://doi.org/10.1063/1.3499316" @default.
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