qrunch.chemistry.calculators.tools

Tools used in ground state problem calculators.

Modules

excitations	Defines excitations of electrons and pairs of electrons in a molecule.
hamiltonian_and_ansatz	Building the second quantized Hamiltonian and initial circuit ansatz of a ground state problem.
initial_ansatz	Module containing initial ansatzes to be used in calculations.
mp2_amplitudes	Double excitation (t2) amplitudes of a second-order Moller-Plesset (MP2) calculation.
vqe_inputs	Shared helpers for constructing the inputs to the VQE ground state calculators.