Bernard Kirtman, Sean Bonness, Alejandro Ramirez-Solis, Benoit Champagne, Hironori Matsumoto, Hideo Sekino
The Journal of Chemical Physics
128
(11),
114108-,
2008-03-20
<jats:p>The long-range correction (LC) for treating electron exchange in density functional theory, combined with the Becke–Lee–Yang–Parr (BLYP) exchange-correlation functional, was used to …
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