void prototype::ComputeSigmaVectorConj // compute: < psi | H ... but returned as ket state | sgv >
( const btas::QSDArray<4>& mpo0,
const btas::QSDArray<3>& lopr,
const btas::QSDArray<3>& ropr,
const btas::QSDArray<3>& wfn0,
btas::QSDArray<3>& sgv0)
{
sgv0.conjugateSelf();
btas::QSDArray<4> scr1;
btas::QSDcontract(1.0, lopr, shape(0), wfn0.conjugate(), shape(0), 1.0, scr1);
btas::QSDArray<4> scr2;
btas::QSDcontract(1.0, scr1, shape(0, 2), mpo0, shape(0, 1), 1.0, scr2);
btas::QSDcontract(1.0, scr2, shape(1, 3), ropr, shape(0, 1), 1.0, sgv0);
sgv0.conjugateSelf();
}
void prototype::Renormalize
(bool forward, const btas::QSDArray<4>& mpo0,
const btas::QSDArray<3>& opr0,
const btas::QSDArray<3>& bra0,
const btas::QSDArray<3>& ket0,
btas::QSDArray<3>& opr1)
{
if(forward) {
btas::QSDArray<4> scr1;
btas::QSDcontract(1.0, opr0, shape(0), bra0.conjugate(), shape(0), 1.0, scr1);
btas::QSDArray<4> scr2;
btas::QSDcontract(1.0, scr1, shape(0, 2), mpo0, shape(0, 1), 1.0, scr2);
btas::QSDcontract(1.0, scr2, shape(0, 2), ket0, shape(0, 1), 1.0, opr1);
}
else {
btas::QSDArray<4> scr1;
btas::QSDcontract(1.0, bra0.conjugate(), shape(2), opr0, shape(0), 1.0, scr1);
btas::QSDArray<4> scr2;
btas::QSDcontract(1.0, scr1, shape(1, 2), mpo0, shape(1, 3), 1.0, scr2);
btas::QSDcontract(1.0, scr2, shape(3, 1), ket0, shape(1, 2), 1.0, opr1);
}
}
void prototype::ComputeGuess
(bool forward, const btas::QSDArray<3>& mps0,
const btas::QSDArray<3>& wfn0,
const btas::QSDArray<3>& mps1,
btas::QSDArray<3>& wfn1)
{
using btas::NoTrans;
using btas::ConjTrans;
if(forward) {
btas::QSDArray<2> lres;
btas::QSDgemm(ConjTrans, NoTrans, 1.0, mps0, wfn0, 1.0, lres);
wfn1.clear();
btas::QSDgemm( NoTrans, NoTrans, 1.0, lres, mps1, 1.0, wfn1);
}
else {
btas::QSDArray<2> rres;
btas::QSDgemm(NoTrans, ConjTrans, 1.0, wfn0, mps0, 1.0, rres);
wfn1.clear();
btas::QSDgemm(NoTrans, NoTrans, 1.0, mps1, rres, 1.0, wfn1);
}
}
void prototype::ComputeInverseGauge
( const btas::QSDArray<2>& gauge_0,
btas::QSDArray<2>& gauge_i)
{
btas::DiagonalQSDArray<1> s;
btas::QSDArray<2> u;
btas::QSDArray<2> v;
btas::QSDgesvd(btas::LeftCanonical, gauge_0, s, u, v, 0);
for(btas::DiagonalQSDArray<1>::iterator it = s.begin(); it != s.end(); ++it) {
for(btas::DArray<1>::iterator id = it->second->begin(); id != it->second->end(); ++id) {
if(fabs(*id) >= 1.0e-20)
*id = 1.0/(*id);
else
*id = 0.0;
}
}
btas::SDdimd(u, s);
gauge_i.clear();
btas::QSDgemm(btas::ConjTrans, btas::ConjTrans, 1.0, v, u, 1.0, gauge_i);
}
void prototype::AnalyzeTransferOperator
( const btas::QSDArray<3>& bra,
const btas::QSDArray<3>& ket)
{
btas::QSDArray<4> escr;
btas::QSDcontract(1.0, bra.conjugate(), shape(1), ket, shape(1), 1.0, escr);
btas::QSDArray<4> eopr;
btas::QSDpermute(escr, shape(0,2,1,3), eopr);
btas::DiagonalQSDArray<1> sval;
btas::QSDArray<3> lvec;
btas::QSDArray<3> rvec;
btas::QSDgesvd(btas::LeftCanonical, eopr, sval, lvec, rvec, 0);
cout << "\t----------------------------------------------------------------------------------------------------" << endl;
cout << "\ttransfer operator :: ";
cout << setprecision(8) << fixed << eopr << endl;
cout << "\t----------------------------------------------------------------------------------------------------" << endl;
cout << "\tsingular values :: ";
cout << setprecision(8) << fixed << sval << endl;
cout << "\t----------------------------------------------------------------------------------------------------" << endl;
}