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Reference-Density Hartree Screening for Gausslet Hamiltonians

White, Steven R.
arXiv (All) · Papers
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atomic-physicschemical-physicscomputational-physics
Gausslets are among the few electronic-structure bases that permit the four-index electron--electron interaction to be replaced by an accurate two-index integral diagonal approximation (IDA). Near a many-electron nucleus, however, the nuclear attraction and core-electron Hartree field are individual
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