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List of works by Zhendong Li

Analytic energy gradients of spin-adapted open-shell time-dependent density functional theory

scientific article published on 01 October 2020

BDF: A relativistic electronic structure program package

scientific article published on 01 February 2020

Combining the spin-separated exact two-component relativistic Hamiltonian with the equation-of-motion coupled-cluster method for the treatment of spin-orbit splittings of light and heavy elements

scientific article published on 18 January 2017

Electronic landscape of the P-cluster of nitrogenase as revealed through many-electron quantum wavefunction simulations

scientific article published on 30 September 2019

Generalization of the exponential basis for tensor network representations of long-range interactions in two and three dimensions

scientific article published in 2019

Performance of TD-DFT for Excited States of Open-Shell Transition Metal Compounds

scientific article published on 5 May 2017

Recent developments in the PySCF program package

scientific article published on 01 July 2020

Spin-Projected Matrix Product States: Versatile Tool for Strongly Correlated Systems

scientific article

Stimulated X-ray Raman and Absorption Spectroscopy of Iron-Sulfur Dimers

scientific article published on 16 October 2019

Stochastic many-body perturbation theory for electron correlation energies

scientific article published on 01 December 2019

Time-Step Targeting Time-Dependent and Dynamical Density Matrix Renormalization Group Algorithms with ab Initio Hamiltonians.

scientific article published on 27 September 2017

Unraveling the Emission Mechanism of Radical-Based Organic Light-Emitting Diodes

scientific article published on 24 January 2019

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