I want to freeze core orbitals of my molecule and I know ElectronicStructureProblem has the possibility (es_problem = ElectronicStructureProblem(driver=driver, q_molecule_transformers=FreezeCoreTransformer())). Then, when I run the code to calculate the ground state energy of my molecule (res = calc.solve(problem=es_problem)), it says that 'FreezeCoreTransformer' object is not iterable. Which is the way then to freeze core orbitals without using deprecated libraries of Qiskit? Thank you very much in advance!
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1 Answer
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See https://github.com/Qiskit/qiskit-nature/issues/163 for info:
Summary
The ElectronicStructureProblem takes a driver and list of transformers, so you would do it like this
problem = ElectronicStructureProblem(driver, transformers=[FreezeCoreTransformer()])
