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Physical Chemistry Chemical Physics : PCCP
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September 19, 2013
Spin-orbit coupling and electron correlation at various coupled-cluster levels for closed-shell diatomic molecules
Zhifan Wang, Fan Wang
The Journal of Chemical Physics
|
December 27, 2023
Error of relativistic effective core potentials for closed-shell diatomic molecules of p-block heavy and superheavy elements in DFT and TDDFT calculations
Yanzhao Lu, Zhifan Wang, Fan Wang
The Journal of Physical Chemistry. A
|
May 11, 2021
Stationary Points on Potential Energy Surface of Cyclic C<sub>3</sub>H<sub>3</sub> with Coupled-Cluster Approaches and Density Functional Theory
Minggang Guo, Zhifan Wang, Fan Wang
The Journal of Chemical Physics
|
December 9, 2020
Equation-of-motion coupled-cluster theory for double electron attachment with spin-orbit coupling
Minggang Guo, Zhifan Wang, Fan Wang
Physical Chemistry Chemical Physics : PCCP
|
October 29, 2020
Single-precision open-shell CCSD and CCSD(T) calculations on graphics processing units
Zhifan Wang, Minggang Guo, Fan Wang
Physical Chemistry Chemical Physics : PCCP
|
December 8, 2020
Correction: Single-precision open-shell CCSD and CCSD(T) calculations on graphics processing units
Zhifan Wang, Minggang Guo, Fan Wang
The Journal of Chemical Physics
|
March 23, 2022
Intermediate Hamiltonian Fock-space coupled-cluster theory for excitation energies, double ionization potentials, and double electron attachments with spin-orbit coupling
Yanzhao Lu, Zhifan Wang, Fan Wang
Journal of Chemical Theory and Computation
|
November 20, 2015
Equation-of-Motion Coupled-Cluster Theory for Excitation Energies of Closed-Shell Systems with Spin-Orbit Coupling
Zhifan Wang, Zheyan Tu, Fan Wang
Journal of Chemical Theory and Computation
|
April 7, 2026
Second-Order Perturbative Treatment of Spin-Orbit Coupling and Ground-State Electron Correlation
Yanzhao Lu, Zhifan Wang, Fan Wang
Physical Chemistry Chemical Physics : PCCP
|
December 5, 2025
Electron affinities with GPU-accelerated density-fitting EOM-CCSD, approximate EOM-CCSD methods and EOM-CCSD with frozen natural orbitals
Yanmei Hu, Zhifan Wang, Fan Wang
Page
of 5
Search research articles
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Showing results (1-10 of 42) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
September 19, 2013
Spin-orbit coupling and electron correlation at various coupled-cluster levels for closed-shell diatomic molecules
Zhifan Wang, Fan Wang
The Journal of Chemical Physics
|
December 27, 2023
Error of relativistic effective core potentials for closed-shell diatomic molecules of p-block heavy and superheavy elements in DFT and TDDFT calculations
Yanzhao Lu, Zhifan Wang, Fan Wang
The Journal of Physical Chemistry. A
|
May 11, 2021
Stationary Points on Potential Energy Surface of Cyclic C<sub>3</sub>H<sub>3</sub> with Coupled-Cluster Approaches and Density Functional Theory
Minggang Guo, Zhifan Wang, Fan Wang
The Journal of Chemical Physics
|
December 9, 2020
Equation-of-motion coupled-cluster theory for double electron attachment with spin-orbit coupling
Minggang Guo, Zhifan Wang, Fan Wang
Physical Chemistry Chemical Physics : PCCP
|
October 29, 2020
Single-precision open-shell CCSD and CCSD(T) calculations on graphics processing units
Zhifan Wang, Minggang Guo, Fan Wang
Physical Chemistry Chemical Physics : PCCP
|
December 8, 2020
Correction: Single-precision open-shell CCSD and CCSD(T) calculations on graphics processing units
Zhifan Wang, Minggang Guo, Fan Wang
The Journal of Chemical Physics
|
March 23, 2022
Intermediate Hamiltonian Fock-space coupled-cluster theory for excitation energies, double ionization potentials, and double electron attachments with spin-orbit coupling
Yanzhao Lu, Zhifan Wang, Fan Wang
Journal of Chemical Theory and Computation
|
November 20, 2015
Equation-of-Motion Coupled-Cluster Theory for Excitation Energies of Closed-Shell Systems with Spin-Orbit Coupling
Zhifan Wang, Zheyan Tu, Fan Wang
Journal of Chemical Theory and Computation
|
April 7, 2026
Second-Order Perturbative Treatment of Spin-Orbit Coupling and Ground-State Electron Correlation
Yanzhao Lu, Zhifan Wang, Fan Wang
Physical Chemistry Chemical Physics : PCCP
|
December 5, 2025
Electron affinities with GPU-accelerated density-fitting EOM-CCSD, approximate EOM-CCSD methods and EOM-CCSD with frozen natural orbitals
Yanmei Hu, Zhifan Wang, Fan Wang
Page
of 5