Kuan-Yu Liu - Dissemin

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All papers authored by Kuan-Yu Liu

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2021 Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng

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, Joonho Lee, Yuezhi Mao

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, Narbe Mardirossian, Pavel Pokhilko, Alec F. White

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, Marc P. Coons

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, Adrian L. Dempwolff

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, Zhengting Gan, Diptarka Hait

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, Paul R. Horn, Leif D. Jacobson, Ilya Kaliman and 205 other authors

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

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2019 Kuan-Yu Liu

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, John M. Herbert

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Energy-Screened Many-Body Expansion: A Practical Yet Accurate Fragmentation Method for Quantum Chemistry

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Kuan-Yu Liu

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, Kevin Carter-Fenk

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, John M. Herbert

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Self-consistent charge embedding at very low cost, with application to symmetry-adapted perturbation theory

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Jie Liu, Bhaskar Rana

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, Kuan-Yu Liu

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, John M. Herbert

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Variational Formulation of the Generalized Many-Body Expansion with Self-Consistent Charge Embedding: Simple and Correct Analytic Energy Gradient for Fragment-Based ab Initio Molecular Dynamics

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