Wenjian Liu

发表

iOI: An Iterative Orbital Interaction Approach for Solving the Self-Consistent Field Problem.

Zikuan Wang, Wenjian Liu, Wenjian Liu, 2021, Journal of chemical theory and computation.

Time-dependent quasirelativistic density-functional theory based on the zeroth-order regular approximation.

Wenli Zou, Daoling Peng, Wenjian Liu, 2005, The Journal of chemical physics.

Time-dependent relativistic density functional study of Yb and YbO

Wenjian Liu, Wenjian Liu, Wenhua Xu, 2009 .

Photoexcitation of Light-Harvesting C-P-C60 Triads: A FLMO-TD-DFT Study.

Junzi Liu, Wenjian Liu, Wenjian Liu, 2014, Journal of chemical theory and computation.

Making four- and two-component relativistic density functional methods fully equivalent based on the idea of "from atoms to molecule".

Lan Cheng, Yunlong Xiao, Daoling Peng, 2007, The Journal of chemical physics.

SDS: the ‘static–dynamic–static’ framework for strongly correlated electrons

Mark R. Hoffmann, Wenjian Liu, M. Hoffmann, 2014, Theoretical Chemistry Accounts.

Excited states of ReO-4 : A comprehensive time-dependent relativistic density functional theory study

Wenli Zou, Volker Staemmler, Daoling Peng, 2009 .

Linear-Scaling Time-Dependent Density Functional Theory Based on the Idea of "From Fragments to Molecule".

Wenjian Liu, Wenjian Liu, Yong Zhang, 2011, Journal of chemical theory and computation.

Infinite-order quasirelativistic density functional method based on the exact matrix quasirelativistic theory.

Daoling Peng, Wenjian Liu, Wenjian Liu, 2006, The Journal of chemical physics.

Time-dependent four-component relativistic density functional theory for excitation energies.

Chengbu Liu, Bo Song, Wenjian Liu, 2004, The Journal of chemical physics.

First order nonadiabatic coupling matrix elements between excited states: implementation and application at the TD-DFT and pp-TDA levels.

Bingbing Suo, Wenjian Liu, Wenjian Liu, 2014, The Journal of chemical physics.

First-order nonadiabatic coupling matrix elements between excited states: a Lagrangian formulation at the CIS, RPA, TD-HF, and TD-DFT levels.

Wenjian Liu, Wenjian Liu, Zhendong Li, 2014, The Journal of chemical physics.

Time-dependent four-component relativistic density-functional theory for excitation energies. II. The exchange-correlation kernel.

Wenli Zou, Chengbu Liu, Yunlong Xiao, 2005, The Journal of chemical physics.

Combining spin-adapted open-shell TD-DFT with spin–orbit coupling

Yunlong Xiao, Bingbing Suo, Wenjian Liu, 2013 .

Spin-adapted open-shell time-dependent density functional theory. II. Theory and pilot application.

Bingbing Suo, Wenjian Liu, Wenjian Liu, 2011, The Journal of chemical physics.

Erratum: “Spin-adapted open-shell time-dependent density functional theory. III. An even better and simpler formulation” [J. Chem. Phys. 135, 194106 (2011)]

Wenjian Liu, Zhendong Li, 2013 .

Four-component relativistic theory for NMR parameters: unified formulation and numerical assessment of different approaches.

Lan Cheng, Yunlong Xiao, Wenjian Liu, 2009, The Journal of chemical physics.

Further development of SDSPT2 for strongly correlated electrons

Mark R. Hoffmann, Yibo Lei, Wenjian Liu, 2017 .

Combining the spin-separated exact two-component relativistic Hamiltonian with the equation-of-motion coupled-cluster method for the treatment of spin-orbit splittings of light and heavy elements.

Wenjian Liu, Wenjian Liu, Zhendong Li, 2017, Physical chemistry chemical physics : PCCP.

Correction to iCI: Iterative CI toward Full CI.

Mark R Hoffmann, Wenjian Liu, 2016, Journal of chemical theory and computation.

Spin-adapted open-shell random phase approximation and time-dependent density functional theory. I. Theory.

Wenjian Liu, Wenjian Liu, Zhendong Li, 2010, The Journal of chemical physics.

Performance of TD-DFT for Excited States of Open-Shell Transition Metal Compounds.

Bingbing Suo, Wenjian Liu, Wenjian Liu, 2017, The journal of physical chemistry. A.

Spin-adapted open-shell time-dependent density functional theory. III. An even better and simpler formulation.

Wenjian Liu, Wenjian Liu, Zhendong Li, 2011, The Journal of chemical physics.

Theoretical and numerical assessments of spin-flip time-dependent density functional theory.

Wenjian Liu, Wenjian Liu, Zhendong Li, 2012, The Journal of chemical physics.

Quasirelativistic theory. II. Theory at matrix level.

Werner Kutzelnigg, Wenjian Liu, Wenjian Liu, 2007, The Journal of chemical physics.

Quasirelativistic theory equivalent to fully relativistic theory.

Werner Kutzelnigg, Wenjian Liu, Wenjian Liu, 2005, The Journal of chemical physics.

Critical Assessment of Time-Dependent Density Functional Theory for Excited States of Open-Shell Systems: II. Doublet-Quartet Transitions.

Wenjian Liu, Wenjian Liu, Zhendong Li, 2016, Journal of chemical theory and computation.

Relativistic time-dependent density functional theories.

Yunlong Xiao, Wenjian Liu, Wenjian Liu, 2018, Chemical Society reviews.

Exact two-component Hamiltonians revisited.

Daoling Peng, Wenjian Liu, Wenjian Liu, 2009, The Journal of chemical physics.

Recent Advances in Relativistic Density Functional Methods

Lemin Li, Wenjian Liu, Wenjian Liu, 2004 .

Localization of molecular orbitals: from fragments to molecule.

Hongyang Li, Bingbing Suo, Wenjian Liu, 2014, Accounts of chemical research.

RELATIVISTIC DENSITY FUNCTIONAL THEORY: THE BDF PROGRAM PACKAGE

Lemin Li, Wenjian Liu, Wenjian Liu, 2004 .

The Beijing four-component density functional program package (BDF) and its application to EuO, EuS, YbO and YbS

Michael Dolg, Lemin Li, Dadi Dai, 1997 .

Solvent effects on the optical spectra and excited-state decay of triphenylamine-thiadiazole with hybridized local excitation and intramolecular charge transfer.

Zhigang Shuai, Qian Peng, Yuanping Yi, 2015, The journal of physical chemistry. A.

He@Mo(6)Cl(8)F(6): a stable complex of helium.

Yang Liu, Wenli Zou, James E. Boggs, 2010, Journal of Physical Chemistry A.

Localization of open-shell molecular orbitals via least change from fragments to molecule.

Hongyang Li, Bingbing Suo, Wenjian Liu, 2017, The Journal of chemical physics.

On the Construction of Kramers Paired Double Group Symmetry Functions

Daoling Peng, Wenjian Liu, Wenjian Liu, 2009 .