Eduard Valeyev - Dissemin

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All papers authored by Eduard Valeyev

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2023 Yuqi Wang, Yang Guo

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, Edward F. Valeev

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, Wei Li

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Cluster-in-Molecule Approach with Explicitly Correlated Methods for Large Molecules

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Rosa Di Felice

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, Maricris L. Mayes, Ryan M. Richard, David B. Williams-Young

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, Garnet Kin-Lic Chan, Wibe A. de Jong

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, Niranjan Govind

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, Martin Head-Gordon

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, Matthew R. Hermes

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, Karol Kowalski

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, Karl T. Mueller

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, Erdal Mutlu, Anders M. N. Niklasson

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and 10 other authors

A Perspective on Sustainable Computational Chemistry Software Development and Integration

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David B. Williams-Young

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, Andrey Asadchev, Doru Thom Popovici

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, David Clark, Jonathan Waldrop

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, Theresa L. Windus

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, Edward F. Valeev

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, Wibe A. de Jong

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Distributed memory, GPU accelerated Fock construction for hybrid, Gaussian basis density functional theory

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2021 Shichao Sun

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, Torin F. Stetina

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, Tianyuan Zhang, Hang Hu, Edward F. Valeev

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, Qiming Sun, Xiaosong Li

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Efficient Four-Component Dirac–Coulomb–Gaunt Hartree–Fock in the Pauli Spinor Representation

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2017 Fabijan Pavošević, Chong Peng, J. V. Ortiz

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, Edward F. Valeev

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Communication: Explicitly correlated formalism for second-order single-particle Green’s function

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Yang Guo

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, Kantharuban Sivalingam

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, Edward F. Valeev

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, Frank Neese

Explicitly correlated N-electron valence state perturbation theory (NEVPT2-F12)

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Robert M. Parrish, Lori A. Burns

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, Daniel Ga A. Smith, Andrew C. Simmonett

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, A. Eugene DePrince, Edward G. Hohenstein

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, Xiao Wang, Uğur Bozkaya, Prakash Verma, Jérôme F. Gonthier, Andrew M. James, Alexander Yu-U. Sokolov

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, Edward F. Valeev

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, Roberto Di Remigio

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, Harley R. McAlexander and 11 other authors

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

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Masaaki Saitow, Ute Becker, Christoph Riplinger, Edward F. Valeev

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A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory

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2016 Cole M. Johnson, Alexander E. Doran, Jinmei Zhang, Edward F. Valeev

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Monte Carlo explicitly correlated second-order many-body perturbation theory

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Yang Min Wang

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, Christof Hättig

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, Simen Reine, Edward Valeev

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, Thomas Kjærgaard

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, Kasper Kristensen

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Explicitly correlated second-order Møller-Plesset perturbation theory in a Divide-Expand-Consolidate (DEC) context

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