Searched refs:aj_bi (Results 1 – 1 of 1) sorted by relevance
| /dports/science/chemps2/CheMPS2-1.8.10/CheMPS2/ |
| H A D | CASPT2.cpp | 3942 …const double aj_bi = integrals->get_exchange( irrep_ij, irrep_ij, irrep_ab, irrep_ab, j, i, noa_ab… in construct_rhs() local
3943 … target_singlet[ counter_singlet ] = 2 * ( ai_bj + aj_bi ) * ij_factor * ab_factor; in construct_rhs()
3944 if ((a<b) && (i<j)){ target_triplet[ counter_triplet ] = 6 * ( ai_bj - aj_bi ); } in construct_rhs()
3980 …const double aj_bi = integrals->get_exchange( irrep_j, irrep_i, irrep_a, irrep_b, j, i, noa_a + a,… in construct_rhs() local
3981 target_singlet[ count_singlet ] = 2 * ( ai_bj + aj_bi ); in construct_rhs()
3982 target_triplet[ count_triplet ] = 6 * ( ai_bj - aj_bi ); in construct_rhs()
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