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broadening participation in researching the properties of matter under extreme temperature and pressure

Publications

Mojdeh Banafsheh, Tomasz A. Wesolowski, Tim Gould, Leeor Kronik, and David A. Strubbe, "Nuclear cusps and singularities in the non-additive kinetic potential bi-functional from analytical inversion," Phys. Rev. A 106, 042812 (2022). https://link.aps.org/doi/10.1103/PhysRevA.106.042812

Sara Giarrusso, Roeland Neugarten, Evert Jan Baerends, and Klaas J. H. Giesbertz, "Secondary Kinetic Peak in the Kohn–Sham Potential and Its Connection to the Response Step," J. Chem. Theory Comput. 18, 4762 (2022). https://pubs.acs.org/doi/full/10.1021/acs.jctc.2c00332

Sara Giarrusso and  Aurora Pribram-Jones, "Comparing correlation components and approximations in Hartree–Fock and Kohn–Sham theories via an analytical test case study," J. Chem. Phys. 157, 054102 (2022). https://doi.org/10.1063/5.0097095

Brittany P. Harding, Zachary Mauri, and  Aurora Pribram-Jones, "Approximate bounds and temperature dependence of adiabatic connection integrands for the uniform electron gas," J. Chem. Phys. 156, 134104 (2022). doi.org/10.1063/5.0079695

D. Gebremedhin, C. Weatherford, and B. Wilson, “Normalizing Cluster Wavefunctions in the Interstitial Region,” in State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More, Lorenzo Ugo Ancarani and Philip E. Hoggan, editors; Advances in Quantum Chemistry, volume 79, pages 97-112 (Academic Press, 2019). www.sciencedirect.com/science/article/pii/S0065327619300218