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List of works by Sangyoub Lee

Effects of external electric field and anisotropic long-range reactivity on charge separation probability

scientific article

Efficient implementations of analytic energy gradient for mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT)

scientific article published on 01 May 2019

Eliminating spin-contamination of spin-flip time dependent density functional theory within linear response formalism by the use of zeroth-order mixed-reference (MR) reduced density matrix

scientific article published on 01 September 2018

Fast Overlap Evaluations for Nonadiabatic Molecular Dynamics Simulations: Applications to SF-TDDFT and TDDFT

scientific article published on 24 January 2019

Green's function of the Smoluchowski equation with reaction sink: Application to geminate and bulk recombination reactions

scientific article published on 01 April 2020

Interplay of reactive interference and crowding effects in the diffusion-influenced reaction kinetics

scientific article published on 01 July 2020

New Method for Constant- NPT Molecular Dynamics

scientific article published on 15 February 2019

Time-dependent electron transfer rate between geminate ions with strong Coulomb interaction and distance-dependent reactivity

scientific article published on 01 June 2019

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