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- Chinese Academy of SciencesCN55 papers
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4 papers · 1 filter
Multi-Reference Epstein-Nesbet Perturbation Theory with Density Matrix Renormalization Group Reference Wavefunction
Yinxuan Song, Yifan Cheng, Yingjin Ma +1
The accurate electronic structure calculation for strongly correlated chemical systems requires an adequate description for both static and dynamic electron correlation, and is a p…
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…
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…
Replica exchange molecular dynamics optimization of tensor network states for quantum many-body systems
Wenyuan Liu, Chao Wang, Yanbin Li +4
The tensor network states (TNS) methods combined with Monte Carlo (MC) techniques have been proved a powerful algorithm for simulating quantum many-body systems. However, because t…