qrunch.chemistry.ground_state_problem.calculators

Module containing calculators for solving ground state problems.

Modules

calculators_protocols	Protocol class for the ground state calculators.
configuration_interaction_ground_state_problem_calculators	Ground state energy calculator using configuration interaction (CI).
coupled_cluster_ground_state_problem_calculators	Ground state energy calculator using coupled cluster theory.
mp2_ground_state_problem_calculators	Ground state energy calculator using second-order Møller-Plesset (MP2) perturbation theory.
pair_configuration_interaction_calculators	Ground state energy calculator using Pair Full CI.
quantum_phase_estimation_calculators	Module containing a QPE-based ground state energy calculator for chemistry problems.
tools	Tools used in ground state problem calculators.
trim_configuration_interaction_calculators	Ground state energy calculator using Trimmed Configuration Interaction (TrimCI).
vqe_creator	Module containing all the VQE (Variational Quantum Eigensolver) algorithms with chemistry-tailored defaults.
vqe_ground_state_problem_calculator	Classes for calculating the ground state energy of a molecule using a VQE algorithm.