Show pagesourceOld revisionsBacklinksBack to top 多参考ENPT理论文章Multi-Reference Epstein-Nesbet Perturbation Theory with Density Matrix Renormalization Group Reference Wavefunction预印版提交至Arxiv {2019.9} OpenMolcas文章“OpenMolcas: From source code to insight” 已被J. Chem. Theory Comput.接收 激发态梯度文章“Analytical gradients and nonadiabatic couplings for the state-average density matrix renormalization group self-consistent field method” 预印版提交至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J. Chem. Theory Comput. 14, 4747 (2018) progress.txt Last modified: 2019/09/27 18:39by 192.168.18.5