DescriptionOptionsExamples Description These method keywords request the following methods for computing very accurate energies: Gaussian-1 (G1) [Pople89, Curtiss90] Gaussian-2 (G2) [Curtiss91] Gaussian-3 (G3) [Curtiss98] Gaussian-4 (G4) [Curtiss07] G2MP2 requests the...
DescriptionOptionsRestrictionsRelated KeywordsExamples Description The Guess keyword controls the initial guess for the Hartree-Fock wavefunction. This keyword is not meaningful without an option. By default, a Harris guess is used. Options Algorithm-Related Options...
DescriptionInputOptionsAvailabilityExamples Description This method keyword requests a perfect-pairing General Valence Bond (GVB-PP) calculation. GVB requires one parameter: the number of perfect-pairing pairs to split; for example: GVB(4). This parameter may also be...
DescriptionOptionsAvailabilityRelated KeywordsExamples Description These method keywords request a Hartree-Fock calculation followed by configuration interaction with all double substitutions (CID) or all single and double substitutions (CISD) from the Hartree-Fock...
DescriptionAvailabilityExamples Description This method keyword requests a Hartree-Fock calculation [Roothaan51]. Unless explicitly specified, RHF is used for singlets and UHF for higher multiplicities. In the latter case, separate α and β orbitals will be...
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...
