4.6 Article

Short-range corrections to the correlation hole

Journal

PHYSICAL REVIEW A
Volume 70, Issue 2, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.70.022512

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We present a model for the correlation hole to partially correct the errors present in short-range correlation when the hole is expanded in a one-particle basis set. Results for several two-electron test systems are presented and discussed. In general, the short-range correlation hole model improves the total energy substantially, reaching true chemical accuracy of one milliHartree with a modest basis set.

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