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Efficient Reconstruction of CAS-CI-Type Wave Functions for a DMRG State Using Quantum Information Theory and a

Zhen Luo1, Yingjin Ma2,3, Chungen Liu1

  • 1Key Laboratory of Mesoscopic Chemistry of MOE, School of Chemistry and Chemical Engineering, Nanjing University , Nanjing 210023, China.

Journal of Chemical Theory and Computation
|September 13, 2017
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