Linear Algebra Utilities
This module provides various linear algebra utilities.
apply_unitary(vec, operator, norb, nelec[, copy]) | Applies a unitary transformation to a state vector. |
givens_decomposition(unitary) | Decomposes a unitary matrix into Givens rotations and diagonal phases. |
givens_decomposition_slater(orbital_coeffs) | Decomposes the occupied orbitals of a Slater determinant into Givens rotations. |
double_factorized_2body(two_body_tensor, tol) | Double-factorized decomposition of a real two-body tensor. |
double_factorized_t2(t2_amplitudes, tol[, ...]) | Double-factorized decomposition of spin-restricted amplitudes. |
linear_operator(operator, norb, nelec) | Returns a scipy.sparse.linalg.LinearOperator for an operator on the (norb, nelec) FCI sector. |
reconstruct_t2(terms, nocc) | Reconstructs spin-restricted amplitudes from a double-factorized decomposition. |
double_factorized_t2_alpha_beta(...[, max_terms]) | Double-factorized decomposition of alpha-beta (spin-unrestricted) amplitudes. |
reconstruct_t2_alpha_beta(terms, norb, ...) | Reconstructs alpha-beta amplitudes from a double-factorized decomposition. |