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Albert E. DePrince, Ph.D.

Affiliations: 
2009 Chemistry University of Chicago, Chicago, IL 
Area:
theoretical chemistry
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"Albert DePrince"
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David Arthur Mazziotti grad student 2009 Chicago
 (A parametric approach to variational two-electron reduced-density-matrix theory.)

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Maradzike E, Hapka M, Pernal K, et al. (2020) Reduced density matrix driven CASSCF corrected for dynamic correlation from the adiabatic connection. Journal of Chemical Theory and Computation
Mostafanejad M, Liebenthal MD, DePrince AE. (2020) Global Hybrid Multiconfiguration Pair-Density Functional Theory. Journal of Chemical Theory and Computation. 16: 2274-2283
Vu N, Mitxelena I, DePrince AE. (2019) An adiabatic connection for doubly-occupied configuration interaction wave functions. The Journal of Chemical Physics. 151: 244121
Mostafanejad M, Haney J, DePrince AE. (2019) Kinetic-energy-based error quantification in Kohn-Sham density functional theory. Physical Chemistry Chemical Physics : Pccp
Mullinax JW, Maradzike E, Koulias LN, et al. (2019) Heterogeneous CPU + GPU Algorithm for Variational Two-Electron Reduced-Density Matrix-Driven Complete Active-Space Self-Consistent Field Theory. Journal of Chemical Theory and Computation
Li RR, DePrince AE. (2019) Orbital angular momentum constraints in the variational optimization of the two-electron reduced-density matrix Physical Review A. 100
Maradzike E, DePrince AE. (2018) Modeling core-level excitations with variationally optimized reduced-density matrices and the extended random phase approximation. The Journal of Chemical Physics. 149: 234101
Mostafanejad M, DePrince AE. (2018) Combining Pair-Density Functional Theory and Variational Two-Electron Reduced-Density Matrix Methods. Journal of Chemical Theory and Computation. 15: 290-302
Mullinax JW, Epifanovsky E, Gidofalvi G, et al. (2018) Analytic energy gradients for variational two-electron reduced-density matrix methods within the density-fitting approximation. Journal of Chemical Theory and Computation
Nascimento DR, DePrince AE. (2018) Spatial and Spin Symmetry Breaking in Semidefinite-Programming-Based Hartree-Fock Theory. Journal of Chemical Theory and Computation
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