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bib=H. Iikura, T. Tsuneda, T. Yanai, and K. Hirao, ''A long-range correction scheme for generalized-gradient-approximation exchange functionals'', J. Chem. Phys. '''115''', 3540 (2001).|
bib=H. Iikura, T. Tsuneda, T. Yanai, and K. Hirao, ''A long-range correction scheme for generalized-gradient-approximation exchange functionals'', J. Chem. Phys. '''115''', 3540 (2001).|
link=http://doi.org/10.1063/1.1383587
link=http://doi.org/10.1063/1.1383587
}}{{
Reference|key=kaestner:jcp:2005|show={{{1}}}|
bib=J. Kästner, and W. Thiel, ''Bridging the gap between thermodynamic integration and umbrella sampling provides a novel analysis method: “Umbrella integration”'', J. Chem. Phys. '''123''', 144104 (2005).|
link=https://doi.org/10.1063/1.2052648
}}
}}

Revision as of 10:43, 18 October 2023