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The last 5 uploaded publications
Symmetry Breaking with the SCAN Density Functional Describes Strong Correlation in the Singlet Carbon Dimer
John P Perdew, Shah Tanvir ur Rahman Chowdhury, Chandra Shahi, Aaron D. Kaplan, Duo Song, Eric J. Bylaska (2022). Symmetry Breaking with the SCAN Density Functional Describes Strong Correlation in the Singlet Carbon Dimer. , 127(1), DOI: https://doi.org/10.1021/acs.jpca.2c07590.
Article39 days agoSymmetry Breaking with the SCAN Density Functional Describes Strong Correlation in the Singlet Carbon Dimer
John P Perdew, Shah Tanvir ur Rahman Chowdhury, Chandra Shahi, Aaron D. Kaplan, Duo Song, Eric J. Bylaska (2022). Symmetry Breaking with the SCAN Density Functional Describes Strong Correlation in the Singlet Carbon Dimer. , DOI: https://doi.org/10.48550/arxiv.2210.15080.
Preprint39 days agovan der Waals corrected density functionals for cylindrical surfaces: Ammonia and nitrogen dioxide adsorbed on a single-walled carbon nanotube
Shah Tanvir ur Rahman Chowdhury, Hong Tang, John P Perdew (2021). van der Waals corrected density functionals for cylindrical surfaces: Ammonia and nitrogen dioxide adsorbed on a single-walled carbon nanotube. , 103(19), DOI: https://doi.org/10.1103/physrevb.103.195410.
Article39 days agoIncorporation of density scaling constraint in density functional design via contrastive representation learning
Weiyi Gong, Tong Sun, Hexin Bai, Shah Tanvir ur Rahman Chowdhury, Peng Chu, Anoj Aryal, Jie Yu, Haibin Ling, John P Perdew, Qimin Yan (2022). Incorporation of density scaling constraint in density functional design via contrastive representation learning. , DOI: https://doi.org/10.48550/arxiv.2205.15071.
Preprint39 days agoSpherical vs. Non-Spherical and Symmetry-Preserving vs. Symmetry-Breaking Densities of Open-Shell Atoms in Density Functional Theory
Shah Tanvir ur Rahman Chowdhury, John P Perdew (2021). Spherical vs. Non-Spherical and Symmetry-Preserving vs. Symmetry-Breaking Densities of Open-Shell Atoms in Density Functional Theory. , DOI: https://doi.org/10.1063/5.0072020.
Article39 days ago