DescriptionOptionsAvailabilityExamplesRelated Keywords Description This method keyword requests an extended Huckel calculation [Hoffmann63, Hoffmann64, Hoffmann64a, Hoffmann64b, Hoffmann66]. ExtendedHuckel is a synonym for this keyword. No basis set keyword should be...
DescriptionRelated KeywordsExamples Description The ChkBasis keyword requests that the basis set be read from the checkpoint file. It is useful in compound jobs involving general basis sets by allowing them to have only one copy of the basis set in the input stream....
DescriptionOptionsAvailabilityRelated KeywordsExamples Description These method keywords request coupled cluster calculations [Bartlett78], using double substitutions from the Hartree-Fock determinant for CCD [Pople78], or both single and double substitutions for CCSD...
DescriptionOptionsAvailabilityRelated Keywords Description This keyword requests a general Complete Basis Set extrapolation of the MP2 energy [Nyden81, Petersson88, Petersson91, Petersson91a]. The method requires two parameters: the minimum number of pair natural...
DescriptionOptionsAvailabilityExamples Description The following method keywords specify various Complete Basis Set (CBS) methods of Petersson and coworkers for computing very accurate energies [Nyden81, Petersson88, Petersson91, Petersson91a, Montgomery94,...
DescriptionVariationsOptionsAvailability and RestrictionsRelated KeywordsExamples Description This method keyword requests a Complete Active Space Multiconfiguration SCF (MC-SCF) [Hegarty79, Eade81, Schlegel82a, Bernardi84, Frisch92, Yamamoto96, Siegbahn84, Robb90,...
