Explicitly correlated Wntheory: W1-F12 and W2-F12
نویسندگان
چکیده
منابع مشابه
Explicitly correlated coupled cluster F12 theory with single and double excitations.
Full explicitly correlated F12 coupled cluster theory with single and double excitations and with Slater-type geminal as a correlation factor is introduced and implemented within the standard approximation. The variant "C" that does not require integrals over the commutator between the kinetic operator and the correlation factor has been used. All the necessary integrals are analytically calcul...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2012
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3697678