Wenli Zou

Prof. Dr. Wenli Zou

orcid

Research Focus & Metrics

Academic Career Length

17Years (2010-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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13 February 2020 in The Journal of Chemical Physics
Verified
Journal Article
Closed access
PDF file
YZYong Zhang
Yong Zhang
BSBingbing Suo
Bingbing Suo
ZWZikuan Wang
Zikuan Wang
NZNing Zhang
Ning Zhang
ZLZhendong Li
Zhendong Li
WLWenjian Liu
Wenjian Liu
The BDF (Beijing Density Functional) program package is in the first place a platform for theoretical and methodological developments, standing out particularly in relativistic quantum chemical methods for chemistry and physics of atoms, molecules, and periodic solids containing heavy elements. These include the whole spectrum of relativistic Hamiltonians and their combinations with density functional theory for the electronic structure of ground states as well as time-dependent and static density functional linear response theories for electronically excited states and electric/magnetic properties. However, not to be confused by its name, BDF nowadays comprises also of standard and novel wave function-based correlation methods for the ground and excited states of strongly correlated systems of electrons [e.g., multireference configuration interaction, static–dynamic–static configuration interaction, static–dynamic–static second-order perturbation theory, n-electron valence second-order perturbation theory, iterative configuration interaction (iCI), iCI with selection plus PT2, and equation-of-motion coupled-cluster]. Additional features of BDF include a maximum occupation method for finding excited states of Hartree–Fock/Kohn–Sham (HF/KS) equations, a very efficient localization of HF/KS and complete active space self-consistent field orbitals, and a unique solver for exterior and interior roots of large matrix eigenvalue problems.

23 January 2019 in The Journal of Physical Chemistry Letters
Verified
Journal Article
Closed access
CHChuhuan He
Chuhuan He
ZLZhendong Li
Zhendong Li
YLYibo Lei
Yibo Lei
WZWenli Zou
Wenli Zou
BSBingbing Suo
Bingbing Suo

22 February 2022 in Journal of Chemical Theory and Computation
Verified
Journal Article
Closed access
YTYunwen Tao
Yunwen Tao
WZWenli Zou
Wenli Zou
SNSadisha Nanayakkara
Sadisha Nanayakkara
Elfi KrakaElfi Kraka
Elfi Kraka

18 February 2019 in Journal of Chemical Theory and Computation
Verified
Journal Article
Closed access
YTYunwen Tao
Yunwen Tao
WZWenli Zou
Wenli Zou
DSDaniel Sethio
Daniel Sethio
NVNiraj Verma
Niraj Verma
YQYue Qiu
Yue Qiu
Elfi KrakaElfi Kraka
Elfi Kraka

27 January 2020 in Journal of Chemical Theory and Computation
Verified
Journal Article
Closed access
WZWenli Zou
Wenli Zou
GGGuina Guo
Guina Guo
BSBingbing Suo
Bingbing Suo
WLWenjian Liu
Wenjian Liu

1 June 2020 in Chemical Physics Letters
Verified
Journal Article
Closed access
WZWenli Zou
Wenli Zou
Elfi KrakaElfi Kraka
Elfi Kraka
MFMarek Freindorf
Marek Freindorf
DCDieter Cremer
Dieter Cremer
Elfi KrakaElfi Kraka
Elfi Kraka