20 #ifndef _libint2_src_bin_libint_cr11divg12primextx11_h_ 21 #define _libint2_src_bin_libint_cr11divg12primextx11_h_ 23 #include <generic_rr.h> 24 #include <integral_11_11.h> 25 #include <gaussoper.h> 27 #define USE_R12kR12lG12 1 35 template <
class BFSet>
38 GenIntegralSet_11_11<BFSet,DivG12prime_xTx,mType> >
46 static const unsigned int max_nchildren = 36;
48 using ParentType::Instance;
54 using ParentType::RecurrenceRelation::expr_;
55 using ParentType::RecurrenceRelation::nflops_;
56 using ParentType::target_;
57 using ParentType::is_simple;
61 static std::string descr() {
return "CR"; }
76 const int i = target_->oper()->descr().I();
86 target_->oper()->descr().contracted())
94 for(
int bxyz=0; bxyz<3; ++bxyz) {
95 for(
int kxyz=0; kxyz<3; ++kxyz) {
105 for(
int bxyz=0; bxyz<3; ++bxyz) {
106 for(
int kxyz=0; kxyz<3; ++kxyz) {
128 if (is_simple()) expr_ *= Scalar(-4.0) * Scalar(
"gamma_bra") * Scalar(
"gamma_ket");
LinearCombination< SafePtr< DGVertex >, BraketPair< F, BKType > > R12vec_dot_Nabla1(const BraketPair< F, BKType > &bkt)
Applies R12vec_dot_Nabla1 to a physicists' braket.
Definition: gaussoper.h:35
static bool directional()
This relation is not directional.
Definition: comp_11_DivG12prime_xTx_11.h:51
Defaults definitions for various parameters assumed by Libint.
Definition: algebra.cc:23
BraketPair< F, PKet > _pket(const F &f1, const F &f2)
Physicists ket.
Definition: braket.h:448
Definition: stdarray.h:18
Definition: prefactors.h:159
LinearCombination< SafePtr< DGVertex >, BraketPair< F, BKType > > Nabla1(const BraketPair< F, BKType > &bkt, int xyz)
Applies Nabla1 to a physicists' braket.
Definition: gaussoper.h:131
GenOper is a single operator described by descriptor Descr.
Definition: oper.h:152
Generic integral over a two-body operator with one bfs for each particle in bra and ket...
Definition: integral_11_11.h:32
void wedge(const LinearCombination< SafePtr< DGVertex >, BraketPair< F, PBra > > &bra_lc, const LinearCombination< SafePtr< DGVertex >, BraketPair< F, PKet > > &ket_lc, const AuxIndexType &aux=AuxIndexType(), const OperType &oper=OperType())
take a wedge product of various (linear combinations of) brakets
Definition: generic_rr.h:191
RRImpl must inherit GenericRecurrenceRelation<RRImpl>
Definition: generic_rr.h:48
QuantumNumbersA<T,N> is a set of N quantum numbers of type T implemented in terms of a C-style array...
Definition: quanta.h:198
LinearCombination< SafePtr< DGVertex >, BraketPair< F, BKType > > R12vec_dot_Nabla2(const BraketPair< F, BKType > &bkt)
Applies R12vec_dot_Nabla2 to a physicists' braket.
Definition: gaussoper.h:83
these objects help to construct BraketPairs
Definition: braket.h:442
R12k_R12l_G12 is a two-body operator of form ( r_{12x}^kx * r_{12y}^ky * r_{12z}^kz ) * (r_{12x}^lx *...
Definition: oper.h:322
Set of basis functions.
Definition: bfset.h:41
LinearCombination< SafePtr< DGVertex >, BraketPair< F, BKType > > Nabla2(const BraketPair< F, BKType > &bkt, int xyz)
Applies Nabla2 to a physicists' braket.
Definition: gaussoper.h:164
BraketPair< F, PBra > _pbra(const F &f1, const F &f2)
Physicists bra.
Definition: braket.h:444
Compute relation for 2-e integrals of the DivG12prime_xTx operators.
Definition: comp_11_DivG12prime_xTx_11.h:36
Helps GenericRecurrenceRelation to work around the compiler problem with make_child.
Definition: generic_rr.h:148