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Journal of Chemical Theory and Computation
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October 21, 2020
Multiconfigurational Effects on the Density Coherence
Dayou Zhang, Donald G Truhlar
Journal of Chemical Theory and Computation
|
July 23, 2020
Unmasking Static Correlation Error in Hybrid Kohn-Sham Density Functional Theory
Dayou Zhang, Donald G Truhlar
Journal of Chemical Theory and Computation
|
August 31, 2021
Decomposition of the Electronic Energy in Terms of Density, Density Coherence, and the Connected Part of the Two-Body Reduced Density Matrix
Dayou Zhang, Donald G Truhlar
Journal of Chemical Theory and Computation
|
June 12, 2020
Spin Splitting Energy of Transition Metals: A New, More Affordable Wave Function Benchmark Method and Its Use to Test Density Functional Theory
Dayou Zhang, Donald G Truhlar
Journal of Chemical Theory and Computation
|
September 14, 2023
An Accurate Density Coherence Functional for Hybrid Multiconfiguration Density Coherence Functional Theory
Dayou Zhang, Donald G Truhlar
Journal of Computational Chemistry
|
November 8, 2024
DC24: A new density coherence functional for multiconfiguration density-coherence functional theory
Dayou Zhang, Yinan Shu, Donald G Truhlar
Nature Computational Science
|
March 28, 2026
Progress and prospects of density functional development
Donald G Truhlar, Dayou Zhang, Yinan Shu
Journal of Chemical Theory and Computation
|
June 25, 2026
Reinventing Density Functional Theory with Machine Learning on Integral Features
Dayou Zhang, Yinan Shu, Donald G Truhlar
The Journal of Physical Chemistry Letters
|
August 8, 2025
Subvalence Orbitals and Diffuse Functions in Accurate Electronic Structure Calculations: Insights from Nitrogenase Fe-S Dimer Clusters
Dayou Zhang, Maryam Mansoori Kermani, Donald G Truhlar
Optics Express
|
June 11, 2024
All-sapphire fiber-optic sensor for the simultaneous measurement of ultra-high temperature and high pressure
Yutong Zhang, Yi Jiang, Shuiwang Yang, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 22) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
October 21, 2020
Multiconfigurational Effects on the Density Coherence
Dayou Zhang, Donald G Truhlar
Journal of Chemical Theory and Computation
|
July 23, 2020
Unmasking Static Correlation Error in Hybrid Kohn-Sham Density Functional Theory
Dayou Zhang, Donald G Truhlar
Journal of Chemical Theory and Computation
|
August 31, 2021
Decomposition of the Electronic Energy in Terms of Density, Density Coherence, and the Connected Part of the Two-Body Reduced Density Matrix
Dayou Zhang, Donald G Truhlar
Journal of Chemical Theory and Computation
|
June 12, 2020
Spin Splitting Energy of Transition Metals: A New, More Affordable Wave Function Benchmark Method and Its Use to Test Density Functional Theory
Dayou Zhang, Donald G Truhlar
Journal of Chemical Theory and Computation
|
September 14, 2023
An Accurate Density Coherence Functional for Hybrid Multiconfiguration Density Coherence Functional Theory
Dayou Zhang, Donald G Truhlar
Journal of Computational Chemistry
|
November 8, 2024
DC24: A new density coherence functional for multiconfiguration density-coherence functional theory
Dayou Zhang, Yinan Shu, Donald G Truhlar
Nature Computational Science
|
March 28, 2026
Progress and prospects of density functional development
Donald G Truhlar, Dayou Zhang, Yinan Shu
Journal of Chemical Theory and Computation
|
June 25, 2026
Reinventing Density Functional Theory with Machine Learning on Integral Features
Dayou Zhang, Yinan Shu, Donald G Truhlar
The Journal of Physical Chemistry Letters
|
August 8, 2025
Subvalence Orbitals and Diffuse Functions in Accurate Electronic Structure Calculations: Insights from Nitrogenase Fe-S Dimer Clusters
Dayou Zhang, Maryam Mansoori Kermani, Donald G Truhlar
Optics Express
|
June 11, 2024
All-sapphire fiber-optic sensor for the simultaneous measurement of ultra-high temperature and high pressure
Yutong Zhang, Yi Jiang, Shuiwang Yang, et al.
Page
of 3