Published August 26, 2024 | Version v1
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Variational Vibrational States of Methanol (12D): Dataset

Creators

  • 1. ROR icon Eötvös Loránd University

Description

This dataset collects the coefficients larger than 1.0E-3 for the direct products of the basis functions, and their excitation numbers for the vibrational wavefunction computed with b=8 and ave-L, regarding the results discussed in the paper titled "Variational Vibrational States of Methanol (12D)" by Ayaki Sunaga, Gustavo Avila, and Edit Mátyus.

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Additional details

Funding

QDMAP – Quantum dynamics of floppy systems beyond Coulomb interactions: magnetic and parity-violating effects 101105452
European Commission
Quantum nuclear motion theory: developments and spectroscopic applications FK 142869
National Research, Development and Innovation Office