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Merge pull request #7 from tanlin2013/main
Test: dmrg in hybrid basis
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Submodule armadillo
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,122 +1,114 @@ | ||
| #ifndef __ONEPARTICLEBASIS_H_CMC__ | ||
| #define __ONEPARTICLEBASIS_H_CMC__ | ||
| #include "itensor/all.h" | ||
| #include "GeneralUtility.h" | ||
| #include "itensor/all.h" | ||
| using namespace itensor; | ||
| using namespace std; | ||
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| /** | ||
| * @brief Generate the tight-binding Hamiltonian. | ||
| * | ||
| * @brief Generate the tight-binding Hamiltonian in single particle basis. | ||
| * | ||
| * @param L The size of matrix, L x L. | ||
| * @param t The hopping strength. | ||
| * @param mu On-site energy. | ||
| * @param damp_fac | ||
| * @param damp_from_right | ||
| * @param verbose | ||
| * @param damp_fac | ||
| * @param damp_from_right | ||
| * @param verbose | ||
| * @return Matrix The Hamiltonian. | ||
| */ | ||
| Matrix tight_binding_Hamilt (int L, Real t, Real mu, Real damp_fac=1., bool damp_from_right=true, bool verbose=false) | ||
| { | ||
| cout << "L = " << L << endl; | ||
| Matrix H (L,L); | ||
| for(int i = 0; i < L; i++) | ||
| { | ||
| H(i,i) = -mu; | ||
| if (i != L-1) | ||
| { | ||
| int damp_dist = (damp_from_right ? L-2-i : i); | ||
| Real ti = t * pow (damp_fac, damp_dist); | ||
| H(i,i+1) = -ti; | ||
| H(i+1,i) = -ti; | ||
| if (verbose) | ||
| cout << "Hk, t " << i << " = " << ti << endl; | ||
| } | ||
| Matrix tight_binding_Hamilt(int L, Real t, Real mu, Real damp_fac = 1., | ||
| bool damp_from_right = true, bool verbose = false) { | ||
| cout << "L = " << L << endl; | ||
| Matrix H(L, L); | ||
| for (int i = 0; i < L; i++) { | ||
| H(i, i) = -mu; | ||
| if (i != L - 1) { | ||
| int damp_dist = (damp_from_right ? L - 2 - i : i); | ||
| Real ti = t * pow(damp_fac, damp_dist); | ||
| H(i, i + 1) = -ti; | ||
| H(i + 1, i) = -ti; | ||
| if (verbose) cout << "Hk, t " << i << " = " << ti << endl; | ||
| } | ||
| return H; | ||
| } | ||
| return H; | ||
| } | ||
|
|
||
| class OneParticleBasis { | ||
| public: | ||
| OneParticleBasis() {} | ||
| OneParticleBasis(const string& name, const Matrix& H) : _name(name), _H(H) { | ||
| diagHermitian(H, _Uik, _ens); | ||
| } | ||
| OneParticleBasis(const string& name, int L, Real t, Real mu, | ||
| Real damp_fac = 1., bool damp_from_right = true, | ||
| bool verbose = false) | ||
| : _name(name) { | ||
| _H = tight_binding_Hamilt(L, t, mu, damp_fac, damp_from_right, verbose); | ||
| diagHermitian(_H, _Uik, _ens); | ||
| } | ||
| OneParticleBasis(const string& name, int L) : _name(name) { | ||
| _H = Matrix(L, L); | ||
| diagHermitian(_H, _Uik, _ens); | ||
| } | ||
|
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| class OneParticleBasis | ||
| { | ||
| public: | ||
| OneParticleBasis () {} | ||
| OneParticleBasis (const string& name, const Matrix& H) | ||
| : _name (name) | ||
| , _H (H) | ||
| { | ||
| diagHermitian (H, _Uik, _ens); | ||
| } | ||
| OneParticleBasis (const string& name, int L, Real t, Real mu, Real damp_fac=1., bool damp_from_right=true, bool verbose=false) | ||
| : _name (name) | ||
| { | ||
| _H = tight_binding_Hamilt (L, t, mu, damp_fac, damp_from_right, verbose); | ||
| diagHermitian (_H, _Uik, _ens); | ||
| } | ||
| OneParticleBasis (const string& name, int L) | ||
| : _name (name) | ||
| { | ||
| _H = Matrix(L,L); | ||
| diagHermitian (_H, _Uik, _ens); | ||
| } | ||
| // Functions that every basis class must have | ||
| const string& name() const { return _name; } | ||
| vector<tuple<int, auto, bool>> C_op(int i, bool dag) const; | ||
| Real en(int k) const { | ||
| mycheck(k > 0 and k <= _ens.size(), "out of range"); | ||
| return _ens(k - 1); | ||
| } | ||
| Real mu(int k) const { | ||
| mycheck(k > 0 and k <= _ens.size(), "out of range"); | ||
| return -_H(k - 1, k - 1); | ||
| } | ||
| int size() const { return _ens.size(); } | ||
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| // Functions that every basis class must have | ||
| const string& name () const { return _name; } | ||
| vector<tuple<int,auto,bool>> C_op (int i, bool dag) const; | ||
| Real en (int k) const { mycheck (k > 0 and k <= _ens.size(), "out of range"); return _ens(k-1); } | ||
| Real mu (int k) const { mycheck (k > 0 and k <= _ens.size(), "out of range"); return -_H(k-1,k-1); } | ||
| int size () const { return _ens.size(); } | ||
| void write(ostream& s) const { | ||
| itensor::write(s, _name); | ||
| itensor::write(s, _Uik); | ||
| itensor::write(s, _ens); | ||
| } | ||
| void read(istream& s) { | ||
| itensor::read(s, _name); | ||
| itensor::read(s, _Uik); | ||
| itensor::read(s, _ens); | ||
| } | ||
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| void write (ostream& s) const | ||
| { | ||
| itensor::write(s,_name); | ||
| itensor::write(s,_Uik); | ||
| itensor::write(s,_ens); | ||
| } | ||
| void read (istream& s) | ||
| { | ||
| itensor::read(s,_name); | ||
| itensor::read(s,_Uik); | ||
| itensor::read(s,_ens); | ||
| } | ||
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| private: | ||
| string _name; | ||
| Matrix _Uik, _H; | ||
| Vector _ens; | ||
| private: | ||
| string _name; | ||
| Matrix _Uik, _H; | ||
| Vector _ens; | ||
| }; | ||
|
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| /** | ||
| * @brief Get the operator information in this basis for the operator Cdag_i, | ||
| * C_i = \sum_k coef_ik C_k | ||
| * Cdag_i = \sum_k coef_ik Cdag_k | ||
| * | ||
| * C_i = \sum_k U_ik C_k | ||
| * Cdag_i = \sum_k U_ik^* Cdag_k | ||
| * | ||
| * @param i The real-space site index, 1-index. | ||
| * @param dag Whether the operator has a dagger or not. | ||
| * @return vector<tuple<int,auto,bool>> The basis index (k) in ascending order, coefficient, | ||
| * and whether the operator has a dagger or not. | ||
| * @return vector<tuple<int,auto,bool>> The basis index (k, 0-index) in | ||
| * ascending order, coefficient U_ik, and whether the operator has a dagger or | ||
| * not. | ||
| */ | ||
| vector<tuple<int,auto,bool>> OneParticleBasis :: C_op (int i, bool dag) const | ||
| { | ||
| mycheck (i > 0 and i <= nrows(_Uik), "out of range"); | ||
| vector<tuple<int, auto, bool>> OneParticleBasis ::C_op(int i, bool dag) const { | ||
| mycheck(i > 0 and i <= nrows(_Uik), "out of range"); | ||
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| auto tmp = _Uik(0,0); | ||
| vector<tuple<int,decltype(tmp),bool>> k_coef_dag; | ||
| auto tmp = _Uik(0, 0); | ||
| vector<tuple<int, decltype(tmp), bool>> k_coef_dag; | ||
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| for(int k = 0; k < this->size(); k++) // Here k is zero-index | ||
| { | ||
| k_coef_dag.emplace_back (k+1, iut::conj(_Uik(i-1,k)), dag); | ||
| for (int k = 0; k < this->size(); k++) // Here k is zero-index | ||
| { | ||
| if (dag) { | ||
| k_coef_dag.emplace_back(k + 1, iut::conj(_Uik(i - 1, k)), dag); | ||
| } else { | ||
| k_coef_dag.emplace_back(k + 1, _Uik(i - 1, k), dag); | ||
| } | ||
| return k_coef_dag; | ||
| } | ||
| return k_coef_dag; | ||
| } | ||
|
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| auto write (ostream& s, const OneParticleBasis& t) | ||
| { | ||
| t.write (s); | ||
| } | ||
| auto read (istream& s, OneParticleBasis& t) | ||
| { | ||
| t.read (s); | ||
| } | ||
| auto write(ostream& s, const OneParticleBasis& t) { t.write(s); } | ||
| auto read(istream& s, OneParticleBasis& t) { t.read(s); } | ||
| #endif |
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