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from qucochemistry.vqe import VQEexperiment from openfermion.hamiltonians import MolecularData
filename = 'molecules/H2_pyscf_equi.hdf5'
molecule = MolecularData(filename=filename)
vqe = VQEexperiment(molecule=molecule)
E = vqe.get_exact_gs()
vqe.start_vqe()
result = vqe.get_results()
print('Difference between VQE optimized and exact GS energy:')
print(str((result.fun-E)/0.0016) + 'kcal/mol')

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What's new?

Qu&Co closes new investment round to accelerate and expand the development of its quantum application platforms for chemistry, multiphysics and finance 09 August 2021

in News
Unifying Quantum Error Mitigation 29 July 2021

in Blog
Quantum Training of a Classical DNN 22 July 2021

in Blog
Exploiting fermion number in factorized decompositions of the electronic structure Hamiltonian 17 July 2021

in Blog
Quantum Evolution Kernel 09 July 2021

in Blog
Qu&Co, Dutch and Japanese academics working together to bridge the gap between quantum computing theory and real-world applications 29 June 2021

in News

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