Close-coupling study of rotational energy transfer of CO (ν=2) by collisions with He atoms

Benhui Yang; P. C. Stancil; N. Balakrishnan; R. C. Forrey

doi:10.1063/1.2055267

Close-coupling study of rotational energy transfer of CO (ν=2) by collisions with He atoms

Benhui Yang, P. C. Stancil, N. Balakrishnan, R. C. Forrey

Division of Science (Berks)

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

Quantum close-coupling scattering calculations of rotational energy transfer in the vibrationally excited CO due to collisions with He atom are presented for collision energies between 10-5 and ∼1000 cm-1 with CO being initially in the vibrational level v=2 and rotational levels j=0,1,4, and 6. The He - CO interaction potential of Heijmen [J. Chem. Phys. 107, 9921 (1997)] was adopted for the calculations. Cross sections for rovibrational transitions and state-to-state rotational energy transfer from selected initial rotational levels were computed and compared with recent measurements of Carty [J. Chem. Phys. 121, 4671 (2004)] and available theoretical results. Comparison in all cases is found to be excellent, providing a stringent test for the scattering calculations as well as the reliability of the He - CO interaction potential by Heijmen

Original language	English (US)
Article number	134326
Journal	Journal of Chemical Physics
Volume	123
Issue number	13
DOIs	https://doi.org/10.1063/1.2055267
State	Published - Oct 3 2005

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.2055267

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@article{c7e82a7ced734393abab896eeccc89ad,

title = "Close-coupling study of rotational energy transfer of CO (ν=2) by collisions with He atoms",

abstract = "Quantum close-coupling scattering calculations of rotational energy transfer in the vibrationally excited CO due to collisions with He atom are presented for collision energies between 10-5 and ∼1000 cm-1 with CO being initially in the vibrational level v=2 and rotational levels j=0,1,4, and 6. The He - CO interaction potential of Heijmen [J. Chem. Phys. 107, 9921 (1997)] was adopted for the calculations. Cross sections for rovibrational transitions and state-to-state rotational energy transfer from selected initial rotational levels were computed and compared with recent measurements of Carty [J. Chem. Phys. 121, 4671 (2004)] and available theoretical results. Comparison in all cases is found to be excellent, providing a stringent test for the scattering calculations as well as the reliability of the He - CO interaction potential by Heijmen",

author = "Benhui Yang and Stancil, {P. C.} and N. Balakrishnan and Forrey, {R. C.}",

note = "Funding Information: Two of the authors (B.Y. and P.C.S.) acknowledge the support from NASA Grant No. NNG04GM59G. The other two authors (N.B. and R.C.F.) acknowledge the support from NSF through Grant Nos. PHY-0245019 and PHY-0244066, respectively. We thank Professor Enrico Bodo for providing his numerical data and Professor Ian Smith for helpful communications. Some of the calculations were performed on the IBM p655 High Performance Computer of the UGA RCC. ",

year = "2005",

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doi = "10.1063/1.2055267",

language = "English (US)",

volume = "123",

journal = "Journal of Chemical Physics",

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T1 - Close-coupling study of rotational energy transfer of CO (ν=2) by collisions with He atoms

AU - Yang, Benhui

AU - Stancil, P. C.

AU - Balakrishnan, N.

AU - Forrey, R. C.

N1 - Funding Information: Two of the authors (B.Y. and P.C.S.) acknowledge the support from NASA Grant No. NNG04GM59G. The other two authors (N.B. and R.C.F.) acknowledge the support from NSF through Grant Nos. PHY-0245019 and PHY-0244066, respectively. We thank Professor Enrico Bodo for providing his numerical data and Professor Ian Smith for helpful communications. Some of the calculations were performed on the IBM p655 High Performance Computer of the UGA RCC.

PY - 2005/10/3

Y1 - 2005/10/3

N2 - Quantum close-coupling scattering calculations of rotational energy transfer in the vibrationally excited CO due to collisions with He atom are presented for collision energies between 10-5 and ∼1000 cm-1 with CO being initially in the vibrational level v=2 and rotational levels j=0,1,4, and 6. The He - CO interaction potential of Heijmen [J. Chem. Phys. 107, 9921 (1997)] was adopted for the calculations. Cross sections for rovibrational transitions and state-to-state rotational energy transfer from selected initial rotational levels were computed and compared with recent measurements of Carty [J. Chem. Phys. 121, 4671 (2004)] and available theoretical results. Comparison in all cases is found to be excellent, providing a stringent test for the scattering calculations as well as the reliability of the He - CO interaction potential by Heijmen

AB - Quantum close-coupling scattering calculations of rotational energy transfer in the vibrationally excited CO due to collisions with He atom are presented for collision energies between 10-5 and ∼1000 cm-1 with CO being initially in the vibrational level v=2 and rotational levels j=0,1,4, and 6. The He - CO interaction potential of Heijmen [J. Chem. Phys. 107, 9921 (1997)] was adopted for the calculations. Cross sections for rovibrational transitions and state-to-state rotational energy transfer from selected initial rotational levels were computed and compared with recent measurements of Carty [J. Chem. Phys. 121, 4671 (2004)] and available theoretical results. Comparison in all cases is found to be excellent, providing a stringent test for the scattering calculations as well as the reliability of the He - CO interaction potential by Heijmen

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Close-coupling study of rotational energy transfer of CO (ν=2) by collisions with He atoms

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