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

Research output: Contribution to journalArticle

8 Citations (Scopus)

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 languageEnglish (US)
Article number134326
JournalJournal of Chemical Physics
Volume123
Issue number13
DOIs
StatePublished - Oct 3 2005

Fingerprint

Carbon Monoxide
Energy transfer
energy transfer
Atoms
collisions
atoms
rotational states
Scattering
scattering
interactions
cross sections
energy

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

@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.}",
year = "2005",
month = "10",
day = "3",
doi = "10.1063/1.2055267",
language = "English (US)",
volume = "123",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "13",

}

Close-coupling study of rotational energy transfer of CO (ν=2) by collisions with He atoms. / Yang, Benhui; Stancil, P. C.; Balakrishnan, N.; Forrey, R. C.

In: Journal of Chemical Physics, Vol. 123, No. 13, 134326, 03.10.2005.

Research output: Contribution to journalArticle

TY - JOUR

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.

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

UR - http://www.scopus.com/inward/record.url?scp=26444519873&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=26444519873&partnerID=8YFLogxK

U2 - 10.1063/1.2055267

DO - 10.1063/1.2055267

M3 - Article

C2 - 16223307

AN - SCOPUS:26444519873

VL - 123

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 13

M1 - 134326

ER -