GAMESS-UJ, Carter group GAMESS-UJ documentation

Abstract

We have developed two methods for calculating U and J from unrestricted Hartree-Fock calculations. Our initial effort is described in Phys. Rev. B 76, 155123 (2007), followed by a rotationally-invariant formalism described in J. Chem. Phys. 129, 014103 (2008). “GAMESS-UJ “ refers to the second method implemented in the GAMESS packag