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Journal of Computational Chemistry
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September 13, 2023
Self-consistent field method for open-shell systems within the density-matrix functional theory
Marinela Irimia, Jian Wang
The Journal of Physical Chemistry. A
|
December 23, 2024
Potential Energy Curves of Hydrogen Halides HX(F, Cl, Br) with the <i>i</i>-DMFT Method
Di Liu, Marinela Irimia, Jian Wang, et al.
The Journal of Chemical Physics
|
July 29, 2024
Potential energy curves for F2, Cl2, and Br2 with the i-DMFT method
Di Liu, Bing Yan, Marinela Irimia, et al.
Journal of Chemical Theory and Computation
|
November 5, 2025
Band Structure from the Reduced Density-Matrix Functional Theory: Application to Si and Diamond
Marinela Irimia, Yu Wang, Yifan Fei, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Computational Chemistry
|
September 13, 2023
Self-consistent field method for open-shell systems within the density-matrix functional theory
Marinela Irimia, Jian Wang
The Journal of Physical Chemistry. A
|
December 23, 2024
Potential Energy Curves of Hydrogen Halides HX(F, Cl, Br) with the <i>i</i>-DMFT Method
Di Liu, Marinela Irimia, Jian Wang, et al.
The Journal of Chemical Physics
|
July 29, 2024
Potential energy curves for F2, Cl2, and Br2 with the i-DMFT method
Di Liu, Bing Yan, Marinela Irimia, et al.
Journal of Chemical Theory and Computation
|
November 5, 2025
Band Structure from the Reduced Density-Matrix Functional Theory: Application to Si and Diamond
Marinela Irimia, Yu Wang, Yifan Fei, et al.
Page
of 1