Locally range-separated hybrids as linear combinations of range-separated local hybrids
نویسندگان
چکیده
منابع مشابه
Locally Range-Separated Hybrids as Linear Combinations of Range-Separated Local Hybrids
Range-separated hybrid density functionals, which incorporate different fractions of exact exchange at different interelectronic separations, offer substantial advantages over conventional global hybrid functionals. However, they generally use a fixed, system-independent range-separation parameter, which numerical experience and formal arguments both show to be a limiting approximation. Locally...
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 2009
ISSN: 0020-7608
DOI: 10.1002/qua.22049