Publications by authors named "Devin A Matthews"

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On the functional dependence of transition-potential coupled cluster.
Alexis Antoinette Ann Delgado, Devin A Matthews

J Chem Phys· June 2025

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Exploiting a Shortcoming of Coupled-Cluster Theory: The Extent of Non-Hermiticity as a Diagnostic Indicator of Computational Accuracy.
Kaila E Weflen, Megan R Bentley, James H Thorpe, Peter R Franke, Jan M L Martin, Devin A Matthews

J Phys Chem Lett· May 2025

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Beyond CCSD(T) Accuracy at Lower Scaling with Auxiliary Field Quantum Monte Carlo.
Ankit Mahajan, James H Thorpe, Jo S Kurian, David R Reichman, Devin A Matthews

J Chem Theory Comput· February 2025

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Spatial Signatures of Electron Correlation in Least-Squares Tensor Hypercontraction.
Chao Yin, Sara Beth Becker, James H Thorpe, Devin A Matthews

J Phys Chem A· January 2025

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Enhancing the accuracy of XPS calculations: Exploring hybrid basis set schemes for CVS-EOMIP-CCSD calculations.
Alexis A A Delgado, Devin A Matthews

J Chem Phys· January 2025

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Prospects for rank-reduced CCSD(T) in the context of high-accuracy thermochemistry.
Tingting Zhao, James H Thorpe, Devin A Matthews

J Chem Phys· October 2024

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Factorized Quadruples and a Predictor of Higher-Level Correlation in Thermochemistry.
James H Thorpe, Zachary W Windom, Rodney J Bartlett, Devin A Matthews

J Phys Chem A· September 2024

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Analytic Gradients for Equation-of-Motion Coupled Cluster with Single, Double, and Perturbative Triple Excitations.
Tingting Zhao, Devin A Matthews

J Chem Theory Comput· August 2024

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Robust Tensor Hypercontraction of the Particle-Particle Ladder Term in Equation-of-Motion Coupled Cluster Theory.
Avdhoot Datar, Devin A Matthews

J Chem Theory Comput· January 2024

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Transition Moments for STEOM-CCSD with Core Triples.
Megan Simons, Devin A Matthews

J Chem Theory Comput· August 2023

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Open-Shell Tensor Hypercontraction.
Tingting Zhao, Megan Simons, Devin A Matthews

J Chem Theory Comput· July 2023

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Ab Initio Investigation of Intramolecular Charge Transfer States in DMABN by Calculation of Excited State X-ray Absorption Spectra.
Avdhoot Datar, Saisrinivas Gudivada, Devin A Matthews

J Phys Chem A· June 2023

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Theoretical Investigation of the X-ray Stark Effect in Small Molecules.
Avdhoot Datar, Catherine Wright, Devin A Matthews

J Phys Chem A· February 2023

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Allosteric regulation in STAT3 interdomains is mediated by a rigid core: SH2 domain regulation by CCD in D170A variant.
Tingting Zhao, Nischal Karki, Brian D Zoltowski, Devin A Matthews

PLoS Comput Biol· December 2022

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A Mountaineering Strategy to Excited States: Revising Reference Values with EOM-CC4.
Pierre-François Loos, Filippo Lipparini, Devin A Matthews, Aymeric Blondel, Denis Jacquemin

J Chem Theory Comput· July 2022

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Accurate Core-Excited States via Inclusion of Core Triple Excitations in Similarity-Transformed Equation-of-Motion Theory.
Megan Simons, Devin A Matthews

J Chem Theory Comput· June 2022

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Quadratic Unitary Coupled-Cluster Singles and Doubles Scheme: Efficient Implementation, Benchmark Study, and Formulation of an Extended Version.
Junzi Liu, Devin A Matthews, Lan Cheng

J Chem Theory Comput· April 2022

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Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs.
Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick, Jiyoung Lee, Asem Alenaizan, Devin A Matthews

J Chem Phys· November 2021

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How accurate are EOM-CC4 vertical excitation energies?
Pierre-François Loos, Devin A Matthews, Filippo Lipparini, Denis Jacquemin

J Chem Phys· June 2021

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A critical analysis of least-squares tensor hypercontraction applied to MP3.
Devin A Matthews

J Chem Phys· April 2021

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Transition-potential coupled cluster.
Megan Simons, Devin A Matthews

J Chem Phys· January 2021

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Analytic Gradients of Approximate Coupled Cluster Methods with Quadruple Excitations.
Devin A Matthews

J Chem Theory Comput· October 2020

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Coupled-cluster techniques for computational chemistry: The CFOUR program package.
Devin A Matthews, Lan Cheng, Michael E Harding, Filippo Lipparini, Stella Stopkowicz

J Chem Phys· June 2020

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Improved Grid Optimization and Fitting in Least Squares Tensor Hypercontraction.
Devin A Matthews

J Chem Theory Comput· March 2020

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Accuracy of Coupled Cluster Excited State Potential Energy Surfaces.
Attila Tajti, John F Stanton, Devin A Matthews, Péter G Szalay

J Chem Theory Comput· November 2018

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