Kylin: An Ab-Initio Quantum Chemistry Package

Especially Developed for DMRG-Based Methods
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Publications

2024

  • Yifan Cheng, Haibo Ma, Renormalized-Residue-Based Multireference Configuration Interaction Method for Strongly Correlated Systems J. Chem. Theory Comput. 2024, 20, 1988-2009.
  • Yinxuan Song, Wei Huang, Chungen Liu, Yibo Lei, Bingbing Suo, Haibo Ma, Spin-Adapted Externally Contracted Multireference Configuration Interaction Method Based on Selected Reference Configurations J. Phys. Chem. A 2024, 128, 958-971.

2023

  • Yihe Xu, Yifan Cheng, Yinxuan Song, Haibo Ma, New Density Matrix Renormalization Group Approaches for Strongly Correlated Systems Coupled with Large Environments J. Chem. Theory Comput. 2023, 19, 4781-4795.
  • Zhaoxuan Xie, Yinxuan Song, Fangwen Peng, Jianhao Li, Yifan Cheng, Lingzhi Zhang, Yingjin Ma, Yingqi Tian, Zhen Luo, Haibo Ma, Kylin 1.0: An Ab-Initio Density Matrix Renormalization Group Quantum Chemistry Program, J. Comput. Chem. 2023, 44(13), 1316. https://doi.org/10.1002/jcc.27085

2022

  • Yingqi Tian, Zhaoxuan Xie, Zhen Luo, Haibo Ma, A Mixed-Precision Implementation of the Density Matrix Renormalization Group, J. Chem. Theory Comput. 2022, 18, 12, 7260-7271, https://doi.org/10.1021/acs.jctc.2c00632