Line shape in collision-induced absorption spectra comparison of theory and computer simulation

C. G. Gray; B. G. Nickel; J. D. Poll; S. Singh; S. Weiss

doi:10.1080/00268978600101121

Line shape in collision-induced absorption spectra comparison of theory and computer simulation

C. G. Gray, B. G. Nickel, J. D. Poll, S. Singh, S. Weiss

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

9 Scopus citations

Abstract

Rare gas collision-induced far infrared absorption spectra have been simulated classically at three reduced temperatures, T* = 4, 2, 1. At the lowest temperature (7* = 1), bound states make a significant contribution (20 per cent). The results are compared to an asymptotic theory of the line shape. The agreement is perfect in the wings of the line, as expected, but is also surprisingly good at lower frequencies.

Original language	English
Pages (from-to)	253-262
Number of pages	10
Journal	Molecular Physics
Volume	58
Issue number	2
DOIs	https://doi.org/10.1080/00268978600101121
State	Published - 10 Jun 1986
Externally published	Yes

ASJC Scopus subject areas

Biophysics
Molecular Biology
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1080/00268978600101121

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@article{a667591c538b452dba4c43a2775a7021,

title = "Line shape in collision-induced absorption spectra comparison of theory and computer simulation",

abstract = "Rare gas collision-induced far infrared absorption spectra have been simulated classically at three reduced temperatures, T* = 4, 2, 1. At the lowest temperature (7* = 1), bound states make a significant contribution (20 per cent). The results are compared to an asymptotic theory of the line shape. The agreement is perfect in the wings of the line, as expected, but is also surprisingly good at lower frequencies.",

author = "Gray, {C. G.} and Nickel, {B. G.} and Poll, {J. D.} and S. Singh and S. Weiss",

note = "Funding Information: We thank M. Alexander for use of his eighth-order Runge-Kutta routine and G. Tabisz for drawing our attention to reference \[9\].W e gratefully acknowledge the financial support of NSERC Canada.",

year = "1986",

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doi = "10.1080/00268978600101121",

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journal = "Molecular Physics",

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AU - Gray, C. G.

AU - Nickel, B. G.

AU - Poll, J. D.

AU - Singh, S.

AU - Weiss, S.

N1 - Funding Information: We thank M. Alexander for use of his eighth-order Runge-Kutta routine and G. Tabisz for drawing our attention to reference \[9\].W e gratefully acknowledge the financial support of NSERC Canada.

PY - 1986/6/10

Y1 - 1986/6/10

N2 - Rare gas collision-induced far infrared absorption spectra have been simulated classically at three reduced temperatures, T* = 4, 2, 1. At the lowest temperature (7* = 1), bound states make a significant contribution (20 per cent). The results are compared to an asymptotic theory of the line shape. The agreement is perfect in the wings of the line, as expected, but is also surprisingly good at lower frequencies.

AB - Rare gas collision-induced far infrared absorption spectra have been simulated classically at three reduced temperatures, T* = 4, 2, 1. At the lowest temperature (7* = 1), bound states make a significant contribution (20 per cent). The results are compared to an asymptotic theory of the line shape. The agreement is perfect in the wings of the line, as expected, but is also surprisingly good at lower frequencies.

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U2 - 10.1080/00268978600101121

DO - 10.1080/00268978600101121

M3 - Article

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JF - Molecular Physics

IS - 2

ER -

Line shape in collision-induced absorption spectra comparison of theory and computer simulation

Abstract

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