A. E. DePrince

发表

Design and Synthesis of Kekulè and Non-Kekulè Diradicaloids via the Radical Periannulation Strategy: The Power of Seven Clar's Sextets.

Run R. Li, G. Strouse, M. Shatruk, 2022, Journal of the American Chemical Society.

Fault-Tolerant Quantum Simulation of Materials Using Bloch Orbitals

Michael P. Kaicher, Joonho Lee, F. Malone, 2023, PRX Quantum.

Exploiting the spatial locality of electron correlation within the parametric two-electron reduced-density-matrix method.

D. Mazziotti, A. E. DePrince, 2010, The Journal of chemical physics.

Data-Driven Refinement of Electronic Energies from Two-Electron Reduced-Density-Matrix Theory.

Run R. Li, A. E. DePrince, Konstantinos D. Vogiatzis, 2023, The journal of physical chemistry letters.

Assessing the Effects of Orbital Relaxation and the Coherent-State Transformation in Quantum Electrodynamics Density Functional and Coupled-Cluster Theories.

N. Vu, A. E. DePrince, Marcus D Liebenthal, 2023, The journal of physical chemistry. A.

Mean-Field Cavity Eﬀects in Quantum Electrodynamics Density Functional and Coupled-Cluster Theories

N. Vu, A. E. DePrince, Marcus D Liebenthal, 2023 .

Approximate Exponential Integrators for Time-Dependent Equation-of-Motion Coupled Cluster Theory

David B. Williams-Young, Chao Yang, A. E. DePrince, 2023, 2305.07592.

Real-Time Time-Dependent Electronic Structure Theory.

N. Govind, C. Isborn, K. Lopata, 2020, Chemical reviews.

Combining Pair-Density Functional Theory and Variational Two-Electron Reduced-Density Matrix Methods.

A. DePrince, Mohammad Mostafanejad, A. E. DePrince, 2018, Journal of chemical theory and computation.

Isomerization of nitrosomethane to formaldoxime: energies, geometries, and frequencies from the parametric variational two-electron reduced-density-matrix method.

A. DePrince, D. Mazziotti, A. E. DePrince, 2010, The Journal of chemical physics.

Large-Scale Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Methods.

A Eugene DePrince, Gergely Gidofalvi, Jacob Fosso-Tande, 2016, Journal of chemical theory and computation.

Plasmonic amplifiers: engineering giant light enhancements by tuning resonances in multiscale plasmonic nanostructures.

S. Gray, Ryan L. Miller, L. Ocola, 2013, Small.

Approximate Exponential Integrators for Time-Dependent Equation-of-Motion Coupled Cluster Theory

David B. Williams-Young, S. H. Yuwono, Chao Yang, 2023, Journal of chemical theory and computation.

Communication: resolving the three-body contribution to the lattice energy of crystalline benzene: benchmark results from coupled-cluster theory.

C. Sherrill, R. Podeszwa, Michael S. Marshall, 2014, The Journal of chemical physics.

Analytic Energy Gradients for Variational Two-Electron Reduced-Density Matrix Methods within the Density Fitting Approximation.

Gergely Gidofalvi, E. Epifanovsky, J. W. Mullinax, 2018, Journal of chemical theory and computation.

Analytic Energy Gradients for Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Theory.

A Eugene DePrince, Justin M Turney, Gergely Gidofalvi, 2017, Journal of chemical theory and computation.

Exploiting the spatial locality of electron correlation within the parametric two-electron reduced-density-matrix method.

D. Mazziotti, A. E. DePrince, 2010, The Journal of chemical physics.

Cumulant reconstruction of the three-electron reduced density matrix in the anti-Hermitian contracted Schrödinger equation.

A. DePrince, D. Mazziotti, A. E. DePrince, 2007, The Journal of chemical physics.

Relativistic Real-Time Time-Dependent Equation-of-Motion Coupled-Cluster.

David B. Williams-Young, A. DePrince, Xiaosong Li, 2019, Journal of chemical theory and computation.