20 #ifndef _libint2_src_bin_libint_cr11r12kr12lg1211_h_ 21 #define _libint2_src_bin_libint_cr11r12kr12lg1211_h_ 23 #include <generic_rr.h> 24 #include <integral_11_11.h> 25 #include <gaussoper.h> 35 template <
class BFSet>
39 GenIntegralSet_11_11<BFSet,R12kR12lG12,EmptySet> >
47 static const unsigned int max_nchildren = 3;
49 using ParentType::Instance;
55 using ParentType::RecurrenceRelation::expr_;
56 using ParentType::RecurrenceRelation::nflops_;
57 using ParentType::target_;
58 using ParentType::is_simple;
63 static std::string descr() {
return "CR"; }
84 const IntVec3& r12pbra = Tint->oper()->descr().K();
85 const IntVec3& r12pket = Tint->oper()->descr().L();
86 const int norm = r12pbra.
norm1() + r12pket.
norm1();
89 for(
int xyz=0; xyz<3; ++xyz) {
91 const IntVec3& _1 = unit_intvec3(xyz);
92 const IntVec3 r12pbra_m1 = r12pbra - _1;
111 for(
int xyz=0; xyz<3; ++xyz) {
113 const IntVec3& _1 = unit_intvec3(xyz);
114 const IntVec3 r12pket_m1 = r12pket - _1;
116 if (!
ltzero(r12pket_m1)) {
R12_k_G12 is a two-body operator of form r_{12}^k * exp(- * r_{12}), where k is an integer and is a ...
Definition: oper.h:298
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
static bool directional()
This relation is not directional.
Definition: comp_11_r12kr12lg12_11.h:52
Definition: stdarray.h:18
Definition: prefactors.h:159
Compute relation for integrals of operator R12k_R12l_G12.
Definition: comp_11_r12kr12lg12_11.h:36
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
bool ltzero(const IntVec3 &a)
return true if has elements < 0
Definition: vectorn.h:90
LinearCombination< SafePtr< DGVertex >, BraketPair< F, BKType > > R12v(const BraketPair< F, BKType > &bkt, unsigned int xyz)
Applies R12v to a physicists' braket.
Definition: gaussoper.h:197
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
T norm1() const
1-norm
Definition: vectorn.h:47
BraketPair< F, PBra > _pbra(const F &f1, const F &f2)
Physicists bra.
Definition: braket.h:444
Helps GenericRecurrenceRelation to work around the compiler problem with make_child.
Definition: generic_rr.h:148