研究领域
量子化学计算与程序开发，密度泛函及电子相关理论，相对论效应，含重元素体系化学性质的理论模拟
近期论文
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Daoling Peng, Wenli Zou, and Wenjian Liu, Time-dependent quasirelativistic density functional theory based on the zeroth-order regular approximation, J. Chem. Phys. 123：144101, 2005 (citations 29)
Wenjian Liu and Daoling Peng, Infinite-order quasirelativistic density functional method based on the exact matrix quasirelativistic theory, J. Chem. Phys. 125：044102, 2006 (citations 92)
Yunlong Xiao, Daoling Peng, and Wenjian Liu, Four-component relativistic theory for nuclear magnetic shielding constants : The orbital decomposition approach, J. Chem. Phys. 126：081101, 2007 (citations 47)
Daoling Peng, Wenjian Liu, Yunlong Xiao, and Lan Cheng, Making four- and two-component relativistic density functional methods fully equivalent based on the idea of ‘from atoms to molecule’, J. Chem. Phys. 127：104106, 2007 (citations 65)
Daoling Peng, Jianyi Ma, and Wenjian Liu, On the construction of Kramers paired double group symmetry functions, Int. J. Quantum Chem. 109：2149, 2009 (citations 13)
Wenjian Liu and Daoling Peng, Exact two-component Hamiltonians revisited, J. Chem. Phys. 131：031104, 2009 (citations 45)
Daoling Peng and Kimihiko Hirao, An arbitrary order Douglas-Kroll method with polynomial cost, J. Chem. Phys. 130：044102, 2009 (citations 25)
Daoling Peng and Kimihiko Hirao, The symmetrized random matrix approach, an efficient method to obtain relativistic molecular symmetry adapted functions, Theor. Chem. Acc. 129：517, 2011 (citations 2)
Daoling Peng and Markus Reiher, Exact decoupling of the relativistic Fock operator, Theor. Chem. Acc. 131：1081, 2012 (citations 29)
Daoling Peng and Markus Reiher, Local relativistic exact decoupling, J. Chem. Phys. 136：244108, 2012 (citations 13)
Jochen Autschbach, Daoling Peng, and Markus Reiher, Two-Component Relativistic Calculations of Electric-Field Gradients Using Exact Decoupling Methods: Spin-orbit and Picture-Change Effects, J. Chem. Theor. Comput. 8：4239, 2012 (citations 8)
Daoling Peng, Markus Reiher, Nils Middendorf and Florian Weigend, An efficient implementation of two-component relativistic exact decoupling methods for the calculation of electronic structure of large molecules, J. Chem. Phys. 138：184105, 2013 (citations 8)
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