qrunch.chemistry.calculators

Calculators for chemistry problems.

Modules

configuration_interaction_calculator	Ground state energy calculator using (Pair) Configuration Interaction.
coupled_cluster_calculator	Ground state energy calculator using coupled cluster theory.
mp2_calculator	Ground state energy calculator using second-order Møller-Plesset (MP2) perturbation theory.
trim_configuration_interaction_calculator	Ground state energy calculator using Trimmed Configuration Interaction.
vqe_ground_state_calculator	Classes for calculating the ground state energy of a molecule using a VQE algorithm.