dc.creator Englot, G. en_US dc.date.accessioned 2006-06-15T17:02:04Z dc.date.available 2006-06-15T17:02:04Z dc.date.issued 1973 en_US dc.identifier 1973-CC-10 en_US dc.identifier.uri http://hdl.handle.net/1811/15938 dc.description Author Institution: Department of Chemistry, Princeton University, Princeton en_US dc.description.abstract A new “semiclassical” theory of rotational line shapes is presented based upon the use of the Rabitz effective potential formalism and an exact treatment of the exponential scattering matrix $S^{ eff}$. The effective potential $(V^{ eff})$ couples the internal rotational states of the molecule regardless of spatial effects associated with the projection quantum numbers M. This method of coupling is therefore valid for conditions where the M states are degenerate, such as in the typical unsaturated microwave experiment where there is zero Stark field. The use of this formalism results in a substantial reduction in the dimensionality of the problem. The effective scattering matrix $S^{eff}$ is derived in an interaction representation so that $$S^{eff} = exp(iA^{eff})$$ where $$[A^{ eff}]_{i,j}=\langle i|-\frac{i}{h}\int\nolimits_{-\infty}^{\infty} { dt} \exp(-i H_{o}{^{eff} t/h}) V^{eff}(t) exp(iH_{o}{^{eff} t/h})| j \rangle$$ The integrals are evaluated using a straight line path approximation. The reduced dimensionality of $A^{eff}$ makes it feasible to calculate $S^{eff}$ exactly within the limits of the given assumptions. This $S^{eff}$ may then be used in an interaction representation derivation of the line shape expression, operating, of course, in the reduced space. Calculations are now in progress on systems of linear molecules perturbed by both rare gases and other linear molecules. en_US dc.format.extent 240157 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title ROTATIONAL LINE SHAPES IN THE RABITZ EFFECTIVE POTENTIAL FORMALISM en_US dc.type article en_US
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