pytenet.hamiltonian_molecular

Construct a molecular Hamiltonian as a matrix product operator (MPO).

Functions

molecular_hamiltonian_mpo(tkin, vint[, optimize])	Construct a molecular Hamiltonian as an MPO, using physicists' convention for the interaction term (note ordering of k and ell):
molecular_hamiltonian_orbital_gauge_transform(h, u, i)	Generate the left and right gauge transformation matrices corresponding to the single-orbital rotation matrix u applied to orbitals i and i + 1.

Classes

MolecularOID(value)	Local operator IDs for a molecular Hamiltonian.
MolecularOpGraphNodes(nsites)	Operator graph nodes used for molecular Hamiltonian construction.