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Materials Science

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Theoretical and Computational Chemistry

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Exact exchange

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4 results in Keywords: Exact exchange

Theoretical and Computational Chemistry

The Influence of Electronic Structure Modelling and Junction Structure on First-Principles Chiral Induced Spin Selectivity

Martin Sebastian Zöllner, Vladimiro Mujica, Carmen Herrmann

Version 1 posted 18 June 2020

584

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Theoretical and Computational Chemistry

Excited-state properties for extended systems: Efficient hybrid density functional methods.

Anna-Sophia Hehn, Beliz Sertcan, Fabian Belleflamme, Sergey K. Chulkov, Matthew B. Watkins, Jürg Hutter

Version 1 posted 14 February 2022

999

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Theoretical and Computational Chemistry

Asymptotic Behavior of the Exchange-Correlation Energy Density and the Kohn-Sham Potential in Density Functional Theory: Exact Results and Strategy for Approximations

Version 1 posted 01 October 2019

953

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SHORYUKEN: An Open-Source Software Package for Calculating Nonlocal Exchange Interactions in Nanowires

Yuan Chen, Simon Sandhofer, Bryan Wong

Version 1 posted 05 April 2024

92

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