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cond-mat.str-el2018
Externally-Contracted Multi-Reference Configuration Interaction Method Using a DMRG Reference Wave Function
Zhen Luo, Yingjin Ma, Xicun Wang +1
The recent development of the density matrix renormalization group (DMRG) method in multireference quantum chemistry makes it practical to evaluate static correlation in a large ac…
cond-mat.str-el2017
Efficient reconstruction of CASCI-type wave functions for a DMRG state using quantum information theory and genetic algorithm
Zhen Luo, Yingjin Ma, Chungen Liu +1
We improve the methodology to construct a complete active space-configuration interaction (CAS-CI) expansion for density-matrix renormalization group (DMRG) wave function using mat…