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All papers authored by Run Li

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2023 Aliakbar Sepehri, Run R. Li

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, Mark R. Hoffmann

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Riemannian Trust Region Method for Minimization of the Fourth Central Moment for Localized Molecular Orbitals

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2021 Run R. Li

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, Marcus D. Liebenthal

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, A. Eugene DePrince

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Challenges for variational reduced-density-matrix theory with three-particle N-representability conditions

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Run R. Li

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, Mark R. Hoffmann

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Theoretical Calculations of the 242 nm Absorption of Propargyl Radical

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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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2020 Run R. Li

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, Mark R. Hoffmann

On the development and implementation of multi-CPU parallel versions of accurate, general purpose, methods of multireference perturbation theories

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2019 Run R. Li

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, A. Eugene DePrince

Orbital angular momentum constraints in the variational optimization of the two-electron reduced-density matrix

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2015 Dylan Nicholls, Run R. Li

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, Benjamin Ware, Christopher Pansegrau, Deniz Çakir, Mark R. Hoffmann, Nuri Oncel

Scanning Tunneling Microscopy and Density Functional Theory Study on Zinc(II)-Phthalocyanine Tetrasulfonic Acid on Bilayer Epitaxial Graphene on Silicon Carbide(0001)

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2010 Jing Shi, Xiong-Yi Huang, Jun-Peng Wang, Run Li

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A Theoretical Study on C−COOH Homolytic Bond Dissociation Enthalpies

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