Publications by authors named "Alan Rask"

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Breaking down per- and polyfluoroalkyl substances (PFAS): tackling multitudes of correlated electrons.
Alan E Rask, Lee Huntington, SungYeon Kim, David Walker, Andrew Wildman

Chem Sci· October 2025

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Many-Body Basis Set Amelioration Method for Incremental Full Configuration Interaction.
Jeffrey Hatch, Alan E Rask, Duy-Khoi Dang, Paul M Zimmerman

J Phys Chem A· April 2025

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Parallel Implementation of the Density Matrix Renormalization Group Method Achieving a Quarter petaFLOPS Performance on a Single DGX-H100 GPU Node.
Andor Menczer, Maarten van Damme, Alan Rask, Lee Huntington, Jeff Hammond

J Chem Theory Comput· October 2024

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Kohn-Sham Density in a Slater Orbital Basis Set.
Alan E Rask, Liying Li, Paul M Zimmerman

J Phys Chem A· April 2024

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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.
Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, Joonho Lee, Yuezhi Mao, Alan E Rask

J Chem Phys· August 2021

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Toward Full Configuration Interaction for Transition-Metal Complexes.
Alan E Rask, Paul M Zimmerman

J Phys Chem A· February 2021

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Mercury Magnetic Isotope Effect: A Plausible Photochemical Mechanism.
Laura C Motta, Alan D Chien, Alan E Rask, Paul M Zimmerman

J Phys Chem A· May 2020

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Evaluation of full valence correlation energies and gradients.
Paul M Zimmerman, Alan E Rask

J Chem Phys· June 2019

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