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Quantum dynamical study of rotational excitations in SiS (X(1)Σ(+)) molecule by H collisions

The knowledge of accurate rate coefficients for collisional excitation of molecules by the abundant chemical species like He, H(2) and H is important in modeling the conditions of interstellar medium. In the present paper, we computed the inelastic rotational cross sections and the corresponding rat...

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Detalles Bibliográficos
Autor principal: Anusuri, Bhargava
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6513813/
https://www.ncbi.nlm.nih.gov/pubmed/31193019
http://dx.doi.org/10.1016/j.heliyon.2019.e01647
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author Anusuri, Bhargava
author_facet Anusuri, Bhargava
author_sort Anusuri, Bhargava
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description The knowledge of accurate rate coefficients for collisional excitation of molecules by the abundant chemical species like He, H(2) and H is important in modeling the conditions of interstellar medium. In the present paper, we computed the inelastic rotational cross sections and the corresponding rate coefficients of SiS molecule in its ground vibrational state in collisions with atomic hydrogen, H. We computed ab initio two-dimensional (rigid-rotor) potential energy surface for the H + SiS system at high accuracy for this purpose. The excitation cross sections are performed by numerically exact close-coupling quantum mechanical formalism up to collision energy of 2000 cm(−1). The corresponding rate coefficients are obtained in the temperature range 5–300 K.
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spelling pubmed-65138132019-05-20 Quantum dynamical study of rotational excitations in SiS (X(1)Σ(+)) molecule by H collisions Anusuri, Bhargava Heliyon Article The knowledge of accurate rate coefficients for collisional excitation of molecules by the abundant chemical species like He, H(2) and H is important in modeling the conditions of interstellar medium. In the present paper, we computed the inelastic rotational cross sections and the corresponding rate coefficients of SiS molecule in its ground vibrational state in collisions with atomic hydrogen, H. We computed ab initio two-dimensional (rigid-rotor) potential energy surface for the H + SiS system at high accuracy for this purpose. The excitation cross sections are performed by numerically exact close-coupling quantum mechanical formalism up to collision energy of 2000 cm(−1). The corresponding rate coefficients are obtained in the temperature range 5–300 K. Elsevier 2019-05-08 /pmc/articles/PMC6513813/ /pubmed/31193019 http://dx.doi.org/10.1016/j.heliyon.2019.e01647 Text en © 2019 The Author http://creativecommons.org/licenses/by-nc-nd/4.0/ This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Article
Anusuri, Bhargava
Quantum dynamical study of rotational excitations in SiS (X(1)Σ(+)) molecule by H collisions
title Quantum dynamical study of rotational excitations in SiS (X(1)Σ(+)) molecule by H collisions
title_full Quantum dynamical study of rotational excitations in SiS (X(1)Σ(+)) molecule by H collisions
title_fullStr Quantum dynamical study of rotational excitations in SiS (X(1)Σ(+)) molecule by H collisions
title_full_unstemmed Quantum dynamical study of rotational excitations in SiS (X(1)Σ(+)) molecule by H collisions
title_short Quantum dynamical study of rotational excitations in SiS (X(1)Σ(+)) molecule by H collisions
title_sort quantum dynamical study of rotational excitations in sis (x(1)σ(+)) molecule by h collisions
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6513813/
https://www.ncbi.nlm.nih.gov/pubmed/31193019
http://dx.doi.org/10.1016/j.heliyon.2019.e01647
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