A Eugene DePrince Iii (A Eugene DePrince, A Eugene DePrince)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 30

Top Topics

Density Functional Theory

Raman Spectroscopy

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. A

The Journal of chemical physics

Journal of the American Chemical Society

This page only lists publications with an associated author ORCID identifier.

Publications

Tianyuan Zhang, Samragni Banerjee, Lauren N Koulias, Edward F Valeev, A Eugene DePrince Iii, Xiaosong Li
Dirac-Coulomb-Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory. The journal of physical chemistry. A (2024)
Stephen H Yuwono, Run R Li, Tianyuan Zhang, Kshitijkumar A Surjuse, Edward F Valeev, Xiaosong Li, A Eugene DePrince Iii
Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections. The journal of physical chemistry. A 128 (31) (2024)
Tianyuan Zhang, Samragni Banerjee, Lauren N Koulias, Edward F Valeev, A Eugene DePrince Iii, Xiaosong Li
Dirac-Coulomb-Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory. The journal of physical chemistry. A 128 (17) (2024)
Stephen H Yuwono, Run R Li, Tianyuan Zhang, Kshitijkumar A Surjuse, Edward F Valeev, Xiaosong Li, A Eugene DePrince Iii
Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections. The journal of physical chemistry. A (2024)
Paul Andrew Johnson, A Eugene DePrince Iii
Single Reference Treatment of Strongly Correlated H 4 and H 10 Isomers with Richardson-Gaudin States. Journal of chemical theory and computation (2023)
Grier M Jones, Run R Li, A Eugene DePrince Iii, Konstantinos D Vogiatzis
Data-Driven Refinement of Electronic Energies from Two-Electron Reduced-Density-Matrix Theory. The journal of physical chemistry letters (2023)
David B Williams-Young, Stephen H Yuwono, A Eugene DePrince Iii, Chao Yang
Approximate Exponential Integrators for Time-Dependent Equation-of-Motion Coupled Cluster Theory. Journal of chemical theory and computation (2023)
Marcus D Liebenthal, Nam Vu, A Eugene DePrince Iii
Assessing the Effects of Orbital Relaxation and the Coherent-State Transformation in Quantum Electrodynamics Density Functional and Coupled-Cluster Theories. The journal of physical chemistry. A (2023)
Nam Vu, Grace M McLeod, Kenneth G Hanson, A Eugene DePrince Iii
Correction to "Enhanced Diastereocontrol via Strong Light-Matter Interactions in an Optical Cavity". The journal of physical chemistry. A (2023)
Nam Vu, Grace M McLeod, Kenneth G Hanson, A Eugene DePrince Iii
Correction to "Enhanced Diastereocontrol via Strong Light-Matter Interactions in an Optical Cavity". The journal of physical chemistry. A 127 (5) (2023)
Nam Vu, Grace M McLeod, Kenneth G Hanson, A Eugene DePrince Iii
Enhanced Diastereocontrol via Strong Light-Matter Interactions in an Optical Cavity. The journal of physical chemistry. A (2022)
Febin Kuriakose, Michael Commodore, Chaowei Hu, Catherine J Fabiano, Debashis Sen, Run R Li, Shubham Bisht, Ökten Üngör, Xinsong Lin, Geoffrey F Strouse, A Eugene DePrince Iii, Robert A Lazenby, Frédéric Mentink-Vigier, Michael Shatruk, Igor V Alabugin
Design and Synthesis of Kekulè and Non-Kekulè Diradicaloids via the Radical Periannulation Strategy: The Power of Seven Clar's Sextets. Journal of the American Chemical Society 144 (51) (2022)
Run R Li, Nicholas C Rubin, A Eugene DePrince Iii
Challenges for Variational Reduced-Density-Matrix Theory: Total Angular Momentum Constraints. Journal of chemical theory and computation 18 (10) (2022)
Febin Kuriakose, Michael Commodore, Chaowei Hu, Catherine J Fabiano, Debashis Sen, Run R Li, Shubham Bisht, Ökten Üngör, Xinsong Lin, Geoffrey F Strouse, A Eugene DePrince Iii, Robert A Lazenby, Frédéric Mentink-Vigier, Michael Shatruk, Igor V Alabugin
Design and Synthesis of Kekulè and Non-Kekulè Diradicaloids via the Radical Periannulation Strategy: The Power of Seven Clar's Sextets. Journal of the American Chemical Society (2022)
Brandon C Cooper, Lauren N Koulias, Daniel R Nascimento, Xiaosong Li, A Eugene DePrince Iii
Short Iterative Lanczos Integration in Time-Dependent Equation-of-Motion Coupled-Cluster Theory. The journal of physical chemistry. A 125 (24) (2021)
Xiaosong Li, Niranjan Govind, Christine M Isborn, A Eugene DePrince Iii, Kenneth Lopata
Real-Time Time-Dependent Electronic Structure Theory. Chemical reviews 120 (18) (2020)
Daniel G A Smith, Lori A Burns, Andrew C Simmonett, Robert M Parrish, Matthew C Schieber, Raimondas Galvelis, Peter Kraus, Holger Kruse, Roberto Di Remigio, Asem Alenaizan, Andrew M James, Susi Lehtola, Jonathon P Misiewicz, Maximilian Scheurer, Robert A Shaw, Jeffrey B Schriber, Yi Xie, Zachary L Glick, Dominic A Sirianni, Joseph Senan O'Brien, Jonathan M Waldrop, Ashutosh Kumar, Edward G Hohenstein, Benjamin P Pritchard, Bernard R Brooks, Henry F Schaefer, Alexander Yu Sokolov, Konrad Patkowski, A Eugene DePrince Iii, Uğur Bozkaya, Rollin A King, Francesco A Evangelista, Justin M Turney, T Daniel Crawford, C David Sherrill
Psi4 1.4: Open-source software for high-throughput quantum chemistry. The Journal of chemical physics 152 (18) (2020)
Nam Vu, Ion Mitxelena, A Eugene DePrince Iii
An adiabatic connection for doubly-occupied configuration interaction wave functions. The Journal of chemical physics 151 (24) (2020)
Elvis Maradzike, Michał Hapka, Katarzyna Pernal, A Eugene DePrince Iii
Reduced Density Matrix-Driven Complete Active Apace Self-Consistent Field Corrected for Dynamic Correlation from the Adiabatic Connection. Journal of chemical theory and computation 16 (7) (2020)
Mohammad Mostafanejad, Marcus Dante Liebenthal, A Eugene DePrince Iii
Global Hybrid Multiconfiguration Pair-Density Functional Theory. Journal of chemical theory and computation 16 (4) (2020)
Daniel R Nascimento, A Eugene DePrince Iii
A general time-domain formulation of equation-of-motion coupled-cluster theory for linear spectroscopy. The Journal of chemical physics 151 (20) (2019)
J Wayne Mullinax, Elvis Maradzike, Lauren N Koulias, Mohammad Mostafanejad, Evgeny Epifanovsky, Gergely Gidofalvi, A Eugene DePrince Iii
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 15 (11) (2019)
Alina Dragulescu-Andrasi, Alexander S Filatov, Richard T Oakley, Xiang Li, Kristina Lekin, Ashfia Huq, Chongin Pak, Samuel M Greer, Johannes McKay, Minyoung Jo, Jeff Lengyel, Ivan Hung, Elvis Maradzike, A Eugene DePrince Iii, Sebastian A Stoian, Stephen Hill, Yan-Yan Hu, Michael Shatruk
Radical Dimerization in a Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis. Journal of the American Chemical Society 141 (45) (2019)
Lauren N Koulias, David B Williams-Young, Daniel R Nascimento, A Eugene DePrince Iii, Xiaosong Li
Relativistic Real-Time Time-Dependent Equation-of-Motion Coupled-Cluster. Journal of chemical theory and computation 15 (12) (2019)
Elvis Maradzike, A Eugene DePrince Iii
Modeling core-level excitations with variationally optimized reduced-density matrices and the extended random phase approximation. The Journal of chemical physics 149 (23) (2018)
J Wayne Mullinax, Evgeny Epifanovsky, Gergely Gidofalvi, A Eugene DePrince Iii
Analytic Energy Gradients for Variational Two-Electron Reduced-Density Matrix Methods within the Density Fitting Approximation. Journal of chemical theory and computation 15 (1) (2018)
Daniel R Nascimento, A Eugene DePrince Iii
Spatial and Spin Symmetry Breaking in Semidefinite-Programming-Based Hartree-Fock Theory. Journal of chemical theory and computation 14 (5) (2018)
Daniel G A Smith, Lori A Burns, Dominic A Sirianni, Daniel R Nascimento, Ashutosh Kumar, Andrew M James, Jeffrey B Schriber, Tianyuan Zhang, Boyi Zhang, Adam S Abbott, Eric J Berquist, Marvin H Lechner, Leonardo A Cunha, Alexander G Heide, Jonathan M Waldrop, Tyler Y Takeshita, Asem Alenaizan, Daniel Neuhauser, Rollin A King, Andrew C Simmonett, Justin M Turney, Henry F Schaefer, Francesco A Evangelista, A Eugene DePrince Iii, T Daniel Crawford, Konrad Patkowski, C David Sherrill
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development. Journal of chemical theory and computation 14 (7) (2018)
Daniel R Nascimento, A Eugene DePrince Iii
Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster Theory. The journal of physical chemistry letters 8 (13) (2017)
Elvis Maradzike, Gergely Gidofalvi, Justin M Turney, Henry F Schaefer, A Eugene DePrince Iii
Analytic Energy Gradients for Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Theory. Journal of chemical theory and computation 13 (9) (2017)