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Nuclear ensemble

Photochemistry and photophysics

Non-Kasha fluorescence of pyrene

Simulation confirms pyrene spectral shoulder is from non-Kasha emission.

(more…)

By Mario Barbatti, 3 yearsOctober 21, 2022 ago
Methods and Software

Newton-X platform for dynamics and ensembles

New paper describing Newton-X.

(more…)

By Mario Barbatti, 3 years ago
Methods and Software

Machine Learning for Nuclear Ensembles

Machine learning enables high-precision spectrum simulations.

(more…)

By Mario Barbatti, 5 years ago
Quantum chemistry

Why Are Vertical Excitations and Band Maxima Shifted?

Shift between Vexc and Bmax is caused by frequency changes.

(more…)

By Mario Barbatti, 5 years ago
Methods and Software

Photoelectron Spectrum Simulations

Methods based on nuclear ensembles allow to simulate steady and time-resolved photoelectron spectra with absolute intensities.

By Mario Barbatti, 9 yearsSeptember 15, 2016 ago

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