We investigate the dynamics of intramolecular singlet fission in a dimer consisting of two pentacene-based chromophores covalently bonded to a phenylene spacer using an approach that combines high-lev

NIAID Data Ecosystem100

A comparative study of perturbative and nonequilibrium Green's function approaches for Floquet sidebands in periodically driven quantum systems

量子动力学

Floquet理论

This repository only contains the data that shown in the manuscript. See README file for the structure.

Zenodo2026-01-22 更新30

Calculation of spectroscopic constants for O^{-}_2 containing spin-orbit coupling

分子光谱计算

量子化学激发态

This dataset mainly includes potential energy curve data of Λ-S states and Ω states considering spin orbit coupling corresponding to the two dissociation limits of O2- . In the study, the potential en

科学数据银行2024-12-05 更新120

Data for: On the single-Hessian Gaussian wavepacket dynamics

量子波包动力学模拟

分子光谱计算

Data for publication: D. Barbiero, J. J. L. Vanicek, On the single-Hessian Gaussian wavepacket dynamics, J. Chem. Phys. 164, 234114 (2026). Contains data for all figures of the abovementioned publica

Zenodo2026-06-17 更新60

Supplement Number 5

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