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Our results present an example of the novel properties that can be expected for actinide compounds and would provide the knowledge required to obtain novel structures of AnC12 in future experiments.The use of the variational quantum eigensolver (VQE) for quantum chemistry is one of the most promising applications for noisy intermediate-scale quantum (NISQ) devices. A major limitation is represented by the need to build compact and shallow circuit ansatzes having the variational flexibility to catch the complexity of the electronic structu