Full-dimensional quantum scattering calculations of rovibrationally excited HD+HD collisions

Fuente: arXiv
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Autores principales: Mandal, Bikramaditya, Jóźwiak, Hubert, Wcisło, Piotr, Balakrishnan, Naduvalath
Formato: Preprint
Publicado: 2026
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author Mandal, Bikramaditya
Jóźwiak, Hubert
Wcisło, Piotr
Balakrishnan, Naduvalath
author_facet Mandal, Bikramaditya
Jóźwiak, Hubert
Wcisło, Piotr
Balakrishnan, Naduvalath
contents Full-dimensional quantum scattering calculations are reported for ro-vibrational transitions in HD+HD collisions using a highly accurate interaction potential for the H$_2$-H$_2$ system. Several near-resonant ro-vibrational transitions are identified that conserve the overall rotational angular momentum and nearly conserve the internal energy of the collision partners. Key anisotropic terms that drive the rotational transitions and angular momentum partial waves that contribute to low energy resonant features in the energy dependence of the cross sections are identified. The computed results are in agreement with total cross sections reported in previous experimental results, including resonant features in the energy dependence of the cross section. In particular, low-energy cross sections show a strong resonant feature associated with an $l=3$ partial wave in the incident channel. Rate coefficients for several inelastic rotational and ro-vibrational transitions are reported for temperatures ranging from $0.1$ K to $200$ K and they display a maximum between $1$ K-$10$ K reflecting the important contributions from the $l=3$ shape resonance that occurs around 2.5 K.
format Preprint
id arxiv_https___arxiv_org_abs_2603_04465
institution arXiv
publishDate 2026
record_format arxiv
spellingShingle Full-dimensional quantum scattering calculations of rovibrationally excited HD+HD collisions
Mandal, Bikramaditya
Jóźwiak, Hubert
Wcisło, Piotr
Balakrishnan, Naduvalath
Atomic Physics
Chemical Physics
Quantum Physics
Full-dimensional quantum scattering calculations are reported for ro-vibrational transitions in HD+HD collisions using a highly accurate interaction potential for the H$_2$-H$_2$ system. Several near-resonant ro-vibrational transitions are identified that conserve the overall rotational angular momentum and nearly conserve the internal energy of the collision partners. Key anisotropic terms that drive the rotational transitions and angular momentum partial waves that contribute to low energy resonant features in the energy dependence of the cross sections are identified. The computed results are in agreement with total cross sections reported in previous experimental results, including resonant features in the energy dependence of the cross section. In particular, low-energy cross sections show a strong resonant feature associated with an $l=3$ partial wave in the incident channel. Rate coefficients for several inelastic rotational and ro-vibrational transitions are reported for temperatures ranging from $0.1$ K to $200$ K and they display a maximum between $1$ K-$10$ K reflecting the important contributions from the $l=3$ shape resonance that occurs around 2.5 K.
title Full-dimensional quantum scattering calculations of rovibrationally excited HD+HD collisions
topic Atomic Physics
Chemical Physics
Quantum Physics
url https://arxiv.org/abs/2603.04465