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The Rehiss Three-Range Exchange Functional with an Optimal Variation of Hartree-Fock and Its Use in the Rehissb-D Density Functional Theory Method

JOURNAL OF COMPUTATIONAL CHEMISTRY(2019)

引用 9|浏览7
关键词
DFT,range separation,screened exchange,HISS functional,thermochemistry,kinetics,noncovalent interaction,solid-state property
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