Technical aspects of the evaluation of the overlap of Hartree-Fock- Bogoliubov wave functions

Abstract

Several technical aspects concerning the evaluation of the overlap between two mean-field wave functions of the Hartree-Fock-Bogoliubov type are discussed. The limit when several orbitals become fully occupied is derived as well as the formula to reduce the dimensionality of the problem when exactly empty orbitals are present. The formalism is also extended to deal with different bases for each of the wave functions. Several practical results concerning the evaluation of pfaffians, as well as the canonical decomposition of norm overlaps, are also discussed in the Appendices. © 2011 American Physical Society.