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A Plausible Mechanism of Uracil Photohydration Involves an Unusual Intermediate

scientific article published in 2022

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

artículo científico publicado en 2021

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

artículo científico publicado en 2019

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

artículo científico publicado en 2022

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

artículo científico publicado en 2019

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

scientific article published on 21 May 2021

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

artículo científico publicado en 2021

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

scientific article published on 05 September 2019

The Ground State Electronic Energy of Benzene

artículo científico publicado en 2020

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