JAGUAR is an ab initio quantum chemistry package for both gas and solution phase calculations, with strength in treating metal-containing systems. It is commercial software marketed by the company Schrödinger Inc. Features treatment of systems using the Hartree-Fock (RHF, UHF, ROHF) procedure and Density functional theory (LDA, gradient-corrected, and a number of hybrid functionals) excited states using Configuration interaction (CIS) after Hartree-Fock calculations local second-orde… (
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