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Copy pathSC_BathMPO_MiddleImp.h
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SC_BathMPO_MiddleImp.h
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inline void Fill_SCBath_MPO_MiddleImp(MPO& H, const double Eshift, const std::vector<double>& eps_,
const std::vector<double>& v_, double epseff, double Ueff, const params &p)
{
Expects(odd(length(H)));
// QN objects are necessary to have abelian symmetries in MPS
// automatically find the correct values
QN qn0 = - div( p.sites.op( "Id", 1) ),
cupC = - div( p.sites.op( "Cdagup", 1) ),
cdnC = - div( p.sites.op( "Cdagdn", 1) ),
cupA = - div( p.sites.op( "Cup", 1) ),
cdnA = - div( p.sites.op( "Cdn", 1) );
//std::cout << "g=" << p.sc->g() << std::endl;
std::cout << "Ec=" << p.sc->Ec() << std::endl;
std::vector<Index> links;
links.push_back( Index() );
//first we create the link indices which carry quantum number information
for(auto i : range1( p.impindex-1 )){
links.push_back(Index( qn0, 2,
cupC, 1,
cdnC, 1,
cupA, 1,
cdnA, 1,
cupA+cdnA, 1,
cupC+cdnC, 1, Out, "Link" ));
}
//first we create the link indices which carry quantum number information
for(auto i : range1( p.impindex, length(H)-1 )){
links.push_back(Index( qn0, 2,
cupA, 1,
cdnA, 1,
cupC, 1,
cdnC, 1,
cupA+cdnA, 1,
cupC+cdnC, 1, Out, "Link" ));
}
//then we just fill the MPO tensors which can be viewed
//as matrices (vectors) of operators. if one multiplies
//all matrices togehter one obtains the hamiltonian.
//therefore the tensor on the first and last site must be column/ row vectors
//and all sites between matrices
//first site is a vector:
{
int i = 1;
ITensor& W = H.ref(i);
Index right = links.at(i);
W = ITensor(right, p.sites.si(i), p.sites.siP(i) );
W += p.sites.op("Id",i) * setElt(right(1));
// local H on site
W += p.sites.op("Ntot",i) * setElt(right(2)) * eps_[i]; // here use index i
W += p.sites.op("Nup",i) * setElt(right(2)) * p.sc->EZ()/2.0;
W += p.sites.op("Ndn",i) * setElt(right(2)) * (-1) * p.sc->EZ()/2.0;
W += p.sites.op("Nupdn",i) * setElt(right(2)) * p.sc->g() * pow(p.sc->y(i), 2);
//hybridization
W += p.sites.op("Cdagup*F",i) * setElt(right(3))* (+v_[i]); // here use index i
W += p.sites.op("Cdagdn*F",i) * setElt(right(4))* (+v_[i]); // here use index i
W += p.sites.op("Cup*F", i) * setElt(right(5))* (-v_[i]); // here use index i
W += p.sites.op("Cdn*F", i) * setElt(right(6))* (-v_[i]); // here use index i
//SC pairing
W += p.sites.op("Cdn*Cup", i) * setElt(right(7)) * p.sc->g() * p.sc->y(i);
W += p.sites.op("Cdagup*Cdagdn", i) * setElt(right(8)) * p.sc->g() * p.sc->y(i);
}
// sites 2 ... p.impindex-1 are matrices
for(auto i : range1(2, p.impindex-1 )){
ITensor& W = H.ref(i);
Index left = dag( links.at(i-1) );
Index right = links.at(i);
W = ITensor(left, right, p.sites.si(i), p.sites.siP(i) );
W += p.sites.op("Id",i) * setElt(left(1), right(1));
// local H on site
W += p.sites.op("Ntot",i) * setElt(left(1),right(2)) * eps_[i]; // here use index i
W += p.sites.op("Nup",i) * setElt(left(1),right(2)) * p.sc->EZ()/2.0;
W += p.sites.op("Ndn",i) * setElt(left(1),right(2)) * (-1) * p.sc->EZ()/2.0;
W += p.sites.op("Nupdn",i) * setElt(left(1),right(2)) * p.sc->g() * pow(p.sc->y(i), 2);
// hybridizations
W += p.sites.op("Cdagup*F",i)*setElt(left(1),right(3))* (+v_[i] ); // here use index i
W += p.sites.op("Cdagdn*F",i)*setElt(left(1),right(4))* (+v_[i] ); // here use index i
W += p.sites.op("Cup*F", i)*setElt(left(1),right(5))* (-v_[i] ); // here use index i
W += p.sites.op("Cdn*F", i)*setElt(left(1),right(6))* (-v_[i] ); // here use index i
//SC pairing
W += p.sites.op("Cdn*Cup",i) * setElt(left(1),right(7)) * p.sc->g() * p.sc->y(i);
W += p.sites.op("Cdagup*Cdagdn",i) * setElt(left(1),right(8)) * p.sc->g() * p.sc->y(i);
// keep terms
W += p.sites.op("Id",i)*setElt(left(2),right(2));
W += p.sites.op("F" ,i)*setElt(left(3),right(3));
W += p.sites.op("F" ,i)*setElt(left(4),right(4));
W += p.sites.op("F" ,i)*setElt(left(5),right(5));
W += p.sites.op("F" ,i)*setElt(left(6),right(6));
W += p.sites.op("Id",i)*setElt(left(7),right(7));
W += p.sites.op("Id",i)*setElt(left(8),right(8));
// add SC pairing terms
W += p.sites.op("Cdagup*Cdagdn",i)*setElt(left(7),right(2)) * p.sc->y(i);
W += p.sites.op("Cdn*Cup",i) *setElt(left(8),right(2)) * p.sc->y(i);
}
// impurity
{
int i = p.impindex;
ITensor& W = H.ref(i);
Index left = dag( links.at(i-1) );
Index right = links.at(i);
W = ITensor(left, right, p.sites.si(i), p.sites.siP(i) );
W += p.sites.op("Id",i) * setElt(left(1), right(1));
W += p.sites.op("Ntot",i) * setElt(left(1), right(2)) * epseff;
W += p.sites.op("Nup",i) * setElt(left(1), right(2)) * p.qd->EZ()/2.0;
W += p.sites.op("Ndn",i) * setElt(left(1), right(2)) * (-1) * p.qd->EZ()/2.0;
W += p.sites.op("Nupdn",i) * setElt(left(1), right(2)) * Ueff;
W += p.sites.op("Id",i) * setElt(left(1), right(2)) * Eshift;
// hybridizations
W += p.sites.op("Cup*F", i)*setElt(left(1),right(3)) * (-1);
W += p.sites.op("Cdn*F", i)*setElt(left(1),right(4)) * (-1);
W += p.sites.op("Cdagup*F", i)*setElt(left(1),right(5)) * (+1);
W += p.sites.op("Cdagdn*F", i)*setElt(left(1),right(6)) * (+1);
W += p.sites.op("Id",i) * setElt(left(2), right(2));
// hybridizations
W += p.sites.op("Cup", i)*setElt(left(3),right(2));
W += p.sites.op("Cdn", i)*setElt(left(4),right(2));
W += p.sites.op("Cdagup", i)*setElt(left(5),right(2));
W += p.sites.op("Cdagdn", i)*setElt(left(6),right(2));
//keep SC pairing
W += p.sites.op("Id",i) *setElt(left(7),right(7)) ;
W += p.sites.op("Id",i) *setElt(left(8),right(8)) ;
}
// sites p.impindex+1 ... N -1 are the same as before
for(auto i : range1(p.impindex+1, length(H)-1 )){
ITensor& W = H.ref(i);
Index left = dag( links.at(i-1) );
Index right = links.at(i);
W = ITensor(left, right, p.sites.si(i), p.sites.siP(i) );
W += p.sites.op("Id",i) * setElt(left(1), right(1));
W += p.sites.op("Ntot",i) * setElt(left(1),right(2)) * eps_[i-1]; // use index i-1
W += p.sites.op("Nup",i) * setElt(left(1),right(2)) * p.sc->EZ()/2.0;
W += p.sites.op("Ndn",i) * setElt(left(1),right(2)) * (-1) * p.sc->EZ()/2.0;
W += p.sites.op("Nupdn",i) * setElt(left(1),right(2)) * p.sc->g() * pow(p.sc->y(i-1), 2);
W += p.sites.op("Cdn*Cup",i) * setElt(left(1),right(7)) * p.sc->g() * p.sc->y(i-1);
W += p.sites.op("Cdagup*Cdagdn",i) * setElt(left(1),right(8)) * p.sc->g() * p.sc->y(i-1);
W += p.sites.op("Id",i)*setElt(left(2),right(2));
W += p.sites.op("F" ,i)*setElt(left(3),right(3));
W += p.sites.op("F" ,i)*setElt(left(4),right(4));
W += p.sites.op("F" ,i)*setElt(left(5),right(5));
W += p.sites.op("F" ,i)*setElt(left(6),right(6));
W += p.sites.op("Id",i)*setElt(left(7),right(7));
W += p.sites.op("Id",i)*setElt(left(8),right(8));
W += p.sites.op("Cdagup",i)*setElt(left(3),right(2))* v_[i-1]; // use index i-1
W += p.sites.op("Cdagdn",i)*setElt(left(4),right(2))* v_[i-1]; // use index i-1
W += p.sites.op("Cup", i)*setElt(left(5),right(2))* v_[i-1]; // use index i-1
W += p.sites.op("Cdn", i)*setElt(left(6),right(2))* v_[i-1]; // use index i-1
W += p.sites.op("Cdagup*Cdagdn",i)*setElt(left(7),right(2)) * p.sc->y(i-1);
W += p.sites.op("Cdn*Cup",i) *setElt(left(8),right(2)) * p.sc->y(i-1);
}
//site N is a vector again - same as before
{
int i = length(H);
ITensor& W = H.ref(i);
Index left = dag( links.at(i-1) );
W = ITensor(left, p.sites.si(i), p.sites.siP(i) );
W += p.sites.op("Ntot", i) * setElt(left(1)) * eps_[i-1]; // use index i-1
W += p.sites.op("Nup", i) * setElt(left(1)) * p.sc->EZ()/2.0;
W += p.sites.op("Ndn", i) * setElt(left(1)) * (-1) * p.sc->EZ()/2.0;
W += p.sites.op("Nupdn",i) * setElt(left(1)) * p.sc->g() * pow(p.sc->y(i-1), 2);
W += p.sites.op("Id", i) * setElt(left(2)) ;
W += p.sites.op("Cdagup",i) * setElt(left(3)) * v_[i-1]; // use index i-1
W += p.sites.op("Cdagdn",i) * setElt(left(4)) * v_[i-1]; // use index i-1
W += p.sites.op("Cup", i) * setElt(left(5)) * v_[i-1]; // use index i-1
W += p.sites.op("Cdn", i) * setElt(left(6)) * v_[i-1]; // use index i-1
W += p.sites.op("Cdagup*Cdagdn",i) * setElt(left(7)) * p.sc->y(i-1);
W += p.sites.op("Cdn*Cup", i) * setElt(left(8)) * p.sc->y(i-1);
}
}