DOI: 10.1063/1.1726663. Sudden Approximation Applied to Rotational Excitation of Molecules by Atoms. II. Scattering of Polar Diatomics

Sudden Approximation Applied to Rotational Excitation of Molecules by Atoms. II. Scattering of Polar Diatomics

10.1063/1.1726663

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The sudden approximation is applied to the computation of rotational transition probabilities and inelastic total cross sections for the scattering of polar and nonpolar diatomic molecules (rigid rotors) by atoms. The calculations are based upon an interaction potential which includes both short- and long-range anisotropies. At thermal energies the long-range attractive parts of the potential are of principal importance in determining the inelasticity, with a significant contribution arising from the quadrupole interaction term (varying as R−7 cos3Θ). The computations show the rapid onset of ``dominant-coupling'' behavior (randomization of transition probability among all close-coupled states) for impact parameters below about (S/π)½, where S is the total inelastic cross section.

Bibliography

Bernstein, R. B., & Kramer, K. H. (1966). Sudden Approximation Applied to Rotational Excitation of Molecules by Atoms. II. Scattering of Polar Diatomics. The Journal of Chemical Physics, 44(12), 4473â4485.

Authors 2

R. B. Bernstein (first)
K. H. Kramer (additional)

References 25 Referenced 117

10.1063/1.1724862 / J. Chem. Phys. (1964)
{'key': '2024020901065883700_r2', 'volume': '32', 'year': '1960', 'journal-title': 'Kgl. Danske Videnskab. Selskab. Mat. Fys. Medd.'} / Kgl. Danske Videnskab. Selskab. Mat. Fys. Medd. (1960)
{'key': '2024020901065883700_r3', 'first-page': '427', 'volume': 'A274', 'year': '1963', 'journal-title': 'Proc. Roy. Soc. (London)'} / Proc. Roy. Soc. (London) (1963)
{'key': '2024020901065883700_r4'}
{'key': '2024020901065883700_r4a'}
{'key': '2024020901065883700_r5', 'first-page': '140', 'volume': '36', 'year': '1963', 'journal-title': 'Helv. Phys. Acta'} / Helv. Phys. Acta (1963)
{'key': '2024020901065883700_r6'}
10.1007/BF01383864 / Z. Physik (1965)
{'key': '2024020901065883700_r8'}
{'key': '2024020901065883700_r9'}
{'key': '2024020901065883700_r10'}
10.1103/PhysRev.76.647 / Phys. Rev. (1949)
10.1103/PhysRev.80.511 / Phys. Rev. (1950)
10.1103/PhysRev.111.481 / Phys. Rev. (1958)
10.1063/1.1696157 / J. Chem. Phys. (1965)
10.1063/1.1696243 / J. Chem. Phys. (1965)
10.1007/BF01375405 / Z. Physik (1964)
{'key': '2024020901065883700_r13'}
{'key': '2024020901065883700_r14'}
{'key': '2024020901065883700_r15'}
{'key': '2024020901065883700_r16'}
{'key': '2024020901065883700_r17'}
{'key': '2024020901065883700_r17a'}
10.1063/1.1697252 / J. Chem. Phys. (1965)
10.1063/1.1696512 / J. Chem. Phys. (1965)

Dates

Type	When
Created	20 years, 7 months ago (Jan. 9, 2005, 3:17 a.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 8:07 p.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 12:22 a.m.)
Issued	59 years, 2 months ago (June 15, 1966)
Published	59 years, 2 months ago (June 15, 1966)
Published Print	59 years, 2 months ago (June 15, 1966)

Funders 0

None

BibTeX

@article{Bernstein_1966, title={Sudden Approximation Applied to Rotational Excitation of Molecules by Atoms. II. Scattering of Polar Diatomics}, volume={44}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1726663}, DOI={10.1063/1.1726663}, number={12}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Bernstein, R. B. and Kramer, K. H.}, year={1966}, month=jun, pages={4473–4485} }

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