CC_MACRO


CC_MACRO = [ [ex_lvl, max_holes_I, max_parts_IV, max_I+IV], [ex_lvl, max_holes_I, max_parts_IV, max_I+IV], … ] Optional additional restrictions on allowed excitations in coupled-cluster computations, based on macroconfiguration selection. For each sub-array, [ex_lvl, max_holes_I, max_parts_IV, max_I+IV], eliminate cluster amplitudes in which: [the excitation level (holes in I + II) is equal to ex_lvl] AND [there are more than max_holes_I holes in RAS I, there are more than max_parts_IV particles in RAS IV, OR there are more than max_I+IV quasiparticles in RAS I + RAS IV].

  • Type: array
  • Default: No Default