Publications by authors named "Edward Linscott"

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Predicting electronic screening for fast Koopmans spectral functional calculations.
Yannick Schubert, Sandra Luber, Nicola Marzari, Edward Linscott

NPJ Comput Mater· December 2024

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Tilted-Plane Structure of the Energy of Finite Quantum Systems.
Andrew C Burgess, Edward Linscott, David D O'Regan

Phys Rev Lett· July 2024

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The convexity condition of density-functional theory.
Andrew C Burgess, Edward Linscott, David D O'Regan

J Chem Phys· December 2023

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koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals.
Edward B Linscott, Nicola Colonna, Riccardo De Gennaro, Ngoc Linh Nguyen, Giovanni Borghi

J Chem Theory Comput· October 2023

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Testing Koopmans spectral functionals on the analytically solvable Hooke's atom.
Yannick Schubert, Nicola Marzari, Edward Linscott

J Chem Phys· April 2023

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Koopmans Spectral Functionals in Periodic Boundary Conditions.
Nicola Colonna, Riccardo De Gennaro, Edward Linscott, Nicola Marzari

J Chem Theory Comput· September 2022

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Many-Body Study of Iron(III)-Bound Human Serum Transferrin.
Hovan Lee, Cedric Weber, Edward B Linscott

J Phys Chem Lett· May 2022

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ONETEP + TOSCAM: Uniting Dynamical Mean Field Theory and Linear-Scaling Density Functional Theory.
Edward B Linscott, Daniel J Cole, Nicholas D M Hine, Michael C Payne, Cédric Weber

J Chem Theory Comput· August 2020

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The ONETEP linear-scaling density functional theory program.
Joseph C A Prentice, Jolyon Aarons, James C Womack, Alice E A Allen, Lampros Andrinopoulos, Edward Linscott

J Chem Phys· May 2020

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