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Journal of Chemical Theory and Computation
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Linear-Scaling Quantum Circuits for Computational Chemistry
Authors:
Ilias Magoulas, Emory University
Francesco A. Evangelista, Emory University
Date:
2023
Publisher:
American Chemical Society
Publication Version:
Final Published Version
License:
Creative Commons Attribution 4.0 International
Fitting Potential Energy Surfaces by Learning the Charge Density Matrix with Permutationally Invariant Polynomials
Authors:
Younos Hashem, Kennesaw State University
Katheryn Foust, Kennesaw State University
Martina Kaledin, Kennesaw State University
Alexey Kaledin, Emory University
Date:
2023
Publisher:
American Chemical Society
Publication Version:
Final Published Version
License:
Creative Commons Attribution 4.0 International
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Evangelista, Francesco A.
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Foust, Katheryn
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Hashem, Younos
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Kaledin, Alexey
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Kaledin, Martina
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Magoulas, Ilias
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Date
2023
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Journal of Chemical Theory and Computation
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CNOT-efficient
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Charge density matrix
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Hartree-Fock theory
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Linear-Scaling Quantum Circuits
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Potential energy surface
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