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Full-Text Articles in Biological and Chemical Physics
Simplified Calculation Of The Stability Matrix For Semiclassical Propagation, Sophya V. Garashchuk, J. C. Light
Simplified Calculation Of The Stability Matrix For Semiclassical Propagation, Sophya V. Garashchuk, J. C. Light
Faculty Publications
We present a simple method of calculation of the stability (monodromy) matrix that enters the widely used semiclassical propagator of Herman and Kluk and almost all other semiclassical propagators. The method is based on the unitarity of classical propagation and does not involve any approximations. The number of auxiliary differential equations per trajectory scales linearly rather than quadratically with the system size. Just the first derivatives of the potential surface are needed. The method is illustrated on the collinear H3 system.
Broadening, Shifting, And Line Asymmetries In The 2←0 Band Of Co And Co–N2: Experimental Results And Theoretical Calculations, Adriana Predoi-Cross, J. P. Bouanich, D. Chris Benner, A. D. May, J. R. Drummond
Broadening, Shifting, And Line Asymmetries In The 2←0 Band Of Co And Co–N2: Experimental Results And Theoretical Calculations, Adriana Predoi-Cross, J. P. Bouanich, D. Chris Benner, A. D. May, J. R. Drummond
Arts & Sciences Articles
We have measured the room temperature, widths, pressure shifts, and line asymmetry coefficients for many transitions of the first overtone band of CO and CO perturbed by N2." role="presentation" style="display: inline; line-height: normal; word-spacing: normal; overflow-wrap: normal; white-space: nowrap; float: none; direction: ltr; max-width: none; max-height: none; min-width: 0px; min-height: 0px; border: 0px; padding: 0px 2px 0px 0px; margin: 0px; position: relative;">N2.N2. The broadening coefficients were obtained with an accuracy of about 1%. The pure CO profiles have been fitted by a Voigt profile while the CO–N2" role="presentation" style="display: inline; line-height: normal; word-spacing: normal; overflow-wrap: normal; white-space: nowrap; float: …