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20112020
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cond-mat.str-el2011

High-accuracy ab-initio quantum chemistry by means of an SU(2) x U(1) invariant matrix product state Ansatz: the static second hyperpolarizability

Sebastian Wouters, Peter A. Limacher, Dimitri Van Neck +1

We have implemented the single-site density matrix renormalization group algorithm for the variational optimization of SU(2) \times U(1) (spin and particle number) invariant matrix…