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Chad E. Hoyer
Chad E. Hoyer
Research Scientist, University of Washington
Verified email at uw.edu
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Cited by
Cited by
Year
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ...
Journal of computational chemistry 37 (5), 506-541, 2016
14462016
OpenMolcas: From source code to insight
I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ...
Journal of chemical theory and computation 15 (11), 5925-5964, 2019
7132019
Multiconfiguration pair-density functional theory: A new way to treat strongly correlated systems
L Gagliardi, DG Truhlar, G Li Manni, RK Carlson, CE Hoyer, JL Bao
Accounts of Chemical Research 50 (1), 66-73, 2017
2882017
Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation
CE Hoyer, S Ghosh, DG Truhlar, L Gagliardi
The journal of physical chemistry letters 7 (3), 586-591, 2016
932016
The Chronus Quantum software package
DB Williams‐Young, A Petrone, S Sun, TF Stetina, P Lestrange, CE Hoyer, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science, e1436, 2019
862019
Diabatization based on the dipole and quadrupole: The DQ method
CE Hoyer, X Xu, D Ma, L Gagliardi, DG Truhlar
The Journal of Chemical Physics 141 (11), 114104, 2014
742014
A Two-Coordinate Manganese (0) Complex with an Unsupported Mn–Mg Bond: Allowing Access to Low Coordinate Homo-and Heterobimetallic Compounds
J Hicks, CE Hoyer, B Moubaraki, G Li Manni, E Carter, DM Murphy, ...
Journal of the American Chemical Society 136 (14), 5283-5286, 2014
732014
Analytic gradients for complete active space pair-density functional theory
AM Sand, CE Hoyer, K Sharkas, KM Kidder, R Lindh, DG Truhlar, ...
Journal of chemical theory and computation 14 (1), 126-138, 2018
552018
Multiconfiguration Pair-Density Functional Theory Outperforms Kohn–Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State …
S Ghosh, AL Sonnenberger, CE Hoyer, DG Truhlar, L Gagliardi
Journal of Chemical Theory and Computation 11 (8), 3643-3649, 2015
552015
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ...
Journal of Chemical Theory and Computation 19 (20), 6933-6991, 2023
512023
The DQ and DQΦ electronic structure diabatization methods: Validation for general applications
CE Hoyer, K Parker, L Gagliardi, DG Truhlar
The Journal of Chemical Physics 144 (19), 194101, 2016
482016
State-interaction pair-density functional theory
AM Sand, CE Hoyer, DG Truhlar, L Gagliardi
The Journal of Chemical Physics 149 (2), 024106, 2018
292018
Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis Functions
CE Hoyer, L Gagliardi, DG Truhlar
The Journal of Physical Chemistry Letters 6 (21), 4184-4188, 2015
282015
Controversial electronic structures and energies of Fe2, Fe 2+, and Fe 2− resolved by RASPT2 calculations
CE Hoyer, GL Manni, DG Truhlar, L Gagliardi
The Journal of Chemical Physics 141 (20), 204309, 2014
232014
Iron-Content-Dependent, Quasi-Static Dielectric Resonances and Oxidative Transitions in Bornite and Chalcopyrite Copper Iron Sulfide Nanocrystals
S Lee, S Ghosh, CE Hoyer, H Liu, X Li, VC Holmberg
Chemistry of Materials 33 (5), 1821-1831, 2021
182021
Nonintuitive Diabatic Potential Energy Surfaces for Thioanisole
SL Li, X Xu, CE Hoyer, DG Truhlar
The journal of physical chemistry letters 6 (17), 3352-3359, 2015
182015
Relativistic Kramers-Unrestricted Exact-Two-Component Density Matrix Renormalization Group
CE Hoyer, H Hu, L Lu, S Knecht, X Li
The Journal of Physical Chemistry A 126 (30), 5011-5020, 2022
142022
Relativistic two-component projection-based quantum embedding for open-shell systems
CE Hoyer, X Li
The Journal of Chemical Physics 153 (9), 094113, 2020
112020
Embedding non-collinear two-component electronic structure in a collinear quantum environment
CE Hoyer, DB Williams-Young, C Huang, X Li
The Journal of Chemical Physics 150 (17), 174114, 2019
102019
Correlated Dirac–Coulomb–Breit multiconfigurational self-consistent-field methods
CE Hoyer, L Lu, H Hu, KD Shumilov, S Sun, S Knecht, X Li
The Journal of Chemical Physics 158 (4), 044101, 2023
72023
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