Seunghoon Lee

发表

The Ground State Electronic Energy of Benzene.

Daniel S. Levine, Ali Alavi, Ning Zhang, 2020, The journal of physical chemistry letters.

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

Seunghoon Lee, Sangyoub Lee, C. Choi, 2019, Journal of chemical theory and computation.

Diboron- and Diaza-Doped Anthracenes and Phenanthrenes: Their Electronic Structures for Being Singlet Fission Chromophores.

Seunghoon Lee, C. Choi, Ekadashi Pradhan, 2020, The journal of physical chemistry. A.

Design of singlet fission chromophores with cyclic (alkyl)(amino) carbene building blocks.

Seunghoon Lee, Achini Japahuge, C. Choi, 2019, The Journal of chemical physics.

Dual Fluorescence of Octatetraene Hints at a Novel Type of Singlet-to-Singlet Thermally Activated Delayed Fluorescence Process

Chong Ju Choi, Seunghoon Lee, Jun Shen, 2022, The Journal of Physical Chemistry C.

Shedding new light on an old molecule: quinophthalone displays uncommon N-to-O excited state intramolecular proton transfer (ESIPT) between photobases

Seunghoon Lee, Jiyoung Heo, Seong Keun Kim, 2017, Scientific Reports.

Photochemistry of Thymine in Solution and DNA Revealed by an Electrostatic Embedding QM/MM Combined with Mixed-Reference Spin-Flip TDDFT.

Chong Ju Choi, Seunghoon Lee, N. Ferré, 2022, Journal of chemical theory and computation.

Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory for Accurate X-ray Absorption Spectroscopy.

Chong Ju Choi, Seunghoon Lee, M. Huix-Rotllant, 2022, Journal of chemical theory and computation.

Conical Intersections in Organic Molecules: Benchmarking Mixed-Reference Spin-Flip Time-Dependent DFT (MRSF-TD-DFT) vs. Spin-Flip TD-DFT.

Seunghoon Lee, M. Filatov, C. Choi, 2019, The journal of physical chemistry. A.

Computation of molecular electron affinities using an ensemble density functional theory method.

Seunghoon Lee, M. Filatov, C. Choi, 2020, The journal of physical chemistry. A.

Fast and Accurate Computation of Nonadiabatic Coupling Matrix Elements Using the Truncated Leibniz Formula and Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory.

Chong Ju Choi, Seunghoon Lee, M. Filatov, 2021, The journal of physical chemistry letters.

Accurate Spin-Orbit Coupling by Relativistic Mixed-Reference Spin-Flip-TDDFT.

Chong Ju Choi, Seunghoon Lee, Woo-Sik Park, 2023, Journal of chemical theory and computation.

First case report of Solobacterium moorei bacteremia due to acute cholangitis in South Korea.

Seunghoon Lee, Mina Kim, Jinho Lee, 2020, Anaerobe.

Shedding new light on an old molecule: quinophthalone displays uncommon N-to-O excited state intramolecular proton transfer (ESIPT) between photobases

Seunghoon Lee, Jiyoung Heo, Seong Keun Kim, 2017, Scientific Reports.

A Plausible Mechanism of Uracil Photohydration Involves an Unusual Intermediate

Chong Ju Choi, Seunghoon Lee, Saima Sadiq, 2022, The journal of physical chemistry letters.

Association between sleep duration and stroke prevalence in Korean adults: a cross-sectional study

Seunghoon Lee, Joon-Shik Shin, I. Ha, 2018, BMJ Open.

Externally Corrected CCSD with Renormalized Perturbative Triples (R-ecCCSD(T)) and the Density Matrix Renormalization Group and Selected Configuration Interaction External Sources.

Seunghoon Lee, G. Chan, Sandeep Sharma, 2021, Journal of chemical theory and computation.

The Ground State Electronic Energy of Benzene.

Daniel S. Levine, K. B. Whaley, M. Head‐Gordon, 2020, The journal of physical chemistry letters.

Internal Conversion between Bright (11Bu+) and Dark (21Ag-) States in s-trans-Butadiene and s-trans-Hexatriene.

Chong Ju Choi, Seunghoon Lee, Jun Shen, 2021, The journal of physical chemistry letters.

Recent advances in ensemble density functional theory and linear response theory for strong correlation

Chong Ju Choi, Seunghoon Lee, M. Filatov, 2021, Bulletin of the Korean Chemical Society.

Performance Analysis and Optimization of Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) for Vertical Excitation Energies and Singlet-Triplet Energy Gaps.

Seunghoon Lee, M. Filatov, C. Choi, 2019, The journal of physical chemistry. A.

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

Seunghoon Lee, Sangyoub Lee, C. Choi, 2019, The Journal of chemical physics.

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.

Seunghoon Lee, Sangyoub Lee, M. Filatov, 2018, The Journal of chemical physics.

Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry

Edward F. Valeev, J. Preskill, D. Reichman, 2023, Nature Communications.

Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory (MRSF-TDDFT) as a Simple yet Accurate Method for Diradicals and Diradicaloids.

Seunghoon Lee, Saima Sadiq, M. Filatov, 2021, Journal of chemical theory and computation.

Impact of the Dynamic Electron Correlation on the Unusually Long Excited-State Lifetime of Thymine.

Seunghoon Lee, M. Filatov, C. Choi, 2021, The journal of physical chemistry letters.

Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry

Edward F. Valeev, J. Preskill, Joonho Lee, 2022, Nature Communications.

Exploring Dyson's Orbitals and Their Electron Binding Energies for Conceptualizing Excited States from Response Methodology.

Chong Ju Choi, Seunghoon Lee, S. Shaik, 2021, The journal of physical chemistry letters.

Ultrafast Excited State Aromatization in Dihydroazulene.

Chong Ju Choi, Seunghoon Lee, Dongho Kim, 2023, Journal of the American Chemical Society.

High-performance strategies for the recent MRSF-TDDFT in GAMESS.

Chong Ju Choi, Buu Q. Pham, Seunghoon Lee, 2023, The Journal of chemical physics.

Optimization of Three State Conical Intersections by Adaptive Penalty Function Algorithm in Connection with the Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory Method (MRSF-TDDFT).

Seunghoon Lee, M. Filatov, C. Choi, 2021, The journal of physical chemistry. A.

How Beneficial Is the Explicit Account of Doubly-Excited Configurations in Linear Response Theory?

Seunghoon Lee, M. Filatov, C. Choi, 2021, Journal of chemical theory and computation.

Prototropically Controlled Dynamics of Cytosine Photodecay.

Chong Ju Choi, Seunghoon Lee, Saima Sadiq, 2023, The journal of physical chemistry letters.

Dicarbonyl anthracenes and phenanthrenes as singlet fission chromophores

Chong Ju Choi, Seunghoon Lee, Tao Zeng, 2022, Canadian journal of chemistry (Print).

Signatures of Conical Intersection Dynamics in the Time-Resolved Photoelectron Spectrum of Furan: Theoretical Modeling with an Ensemble Density Functional Theory Method

Chong Ju Choi, Seunghoon Lee, M. Filatov, 2021, International journal of molecular sciences.

Structural or population dynamics: what is revealed by the time-resolved photoelectron spectroscopy of 1,3-cyclohexadiene? A study with an ensemble density functional theory method.

Seunghoon Lee, M. Filatov, C. Choi, 2020, Physical chemistry chemical physics : PCCP.

Computation of molecular ionization energies using an ensemble density functional theory method.

Seunghoon Lee, M. Filatov, C. Choi, 2020, Journal of chemical theory and computation.

An Ab Initio Correction Vector Restricted Active Space Approach to the L-Edge XAS and 2p3d RIXS Spectra of Transition Metal Complexes

Seunghoon Lee, G. Chan, Huanchen Zhai, 2023, Journal of chemical theory and computation.

Multireference Protonation Energetics of a Dimeric Model of Nitrogenase Iron–Sulfur Clusters

Seunghoon Lee, G. Chan, U. Ryde, 2023, The journal of physical chemistry. A.

Description of Sudden Polarization in the Excited Electronic States with an Ensemble Density Functional Theory Method.

Chong Ju Choi, Seunghoon Lee, M. Filatov, 2021, Journal of Chemical Theory and Computation.

Block2: A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond.

Seunghoon Lee, Zhi-Hao Cui, Johannes Tölle, 2023, The Journal of chemical physics.

Assessment of DFT functionals for a minimal nitrogenase [Fe(SH)4H]- model employing state-of-the-art ab initio methods.

Seunghoon Lee, G. Chan, U. Ryde, 2023, The Journal of chemical physics.