progress [Quantum @ CNIC-HPC]

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  * 多参考ENPT理论文章[[https://arxiv.org/abs/1909.11954|Multi-Reference Epstein-Nesbet Perturbation Theory with Density Matrix Renormalization Group Reference Wavefunction]]预印版提交至[[http://arxiv.org|Arxiv]] {2019.9}\\
  * OpenMolcas文章"[[https://pubs.acs.org/doi/10.1021/acs.jctc.9b00532|OpenMolcas: From source code to insight]]" 已被J. Chem. Theory Comput.接收
  * 激发态梯度文章“[[https://arxiv.org/abs/1905.01558|Analytical gradients and nonadiabatic couplings for the state-average density matrix renormalization group self-consistent field method]]” 预印版提交至[[http://arxiv.org|Arxiv]] {2019.6}\\
  *  基于DMRG矩阵乘积态波函数的外收缩多参考组态相互作用算法发表在[[https://pubs.acs.org/doi/10.1021/acs.jctc.8b00613|J. Chem. Theory Comput. 14, 4747 (2018)]]