O. Roncero

collaborators

3 papers

physics.chem-ph2026

Multistate Coupled Diabatic Neural Network potential for the quantum non-adiabatic Photofragmentation of CH $_{2}^{+}$

Pablo del Mazo-Sevillano, Susana Gomez-Carrasco, Alfredo Aguado +1

Tracking the complex non-adiabatic transitions in far-ultraviolet photodissociation demands highly accurate diabatic potential energy matrices (PEMs) across numerous excited states…

physics.comp-ph2024

MADWAVE3: a quantum time dependent wave packet code for nonadiabatic state-to-state reaction dynamics of triatomic systems

Octavio Roncero, Pablo del Mazo-Sevillano

We present MADWAVE3, a FORTRAN90 code designed for quantum time dependent wave packet propagation in triatomic systems. This program allows the calculation of state-to-state probab…

astro-ph.GA2024

Inelastic H + H $_{3}^{+}$ Collision rates and their impact in the determination of the excitation temperature of H $_{3}^{+}$

Daniel Felix-Gonzalez, Pablo del Mazo-Sevillano, Alfredo Aguado +5

Context. In dffuse interstellar clouds the excitation temperature derived from the lowest levels of H $_{3}^{+}$ is systematically lower than that derived from H2. The differences may b…

Multistate Coupled Diabatic Neural Network potential for the quantum non-adiabatic Photofragmentation of CH2+​

MADWAVE3: a quantum time dependent wave packet code for nonadiabatic state-to-state reaction dynamics of triatomic systems

Inelastic H + H3+​ Collision rates and their impact in the determination of the excitation temperature of H3+​

Multistate Coupled Diabatic Neural Network potential for the quantum non-adiabatic Photofragmentation of CH $_{2}^{+}$

Inelastic H + H $_{3}^{+}$ Collision rates and their impact in the determination of the excitation temperature of H $_{3}^{+}$