Dimensional Perturbation Theory : An E cient Method forComputing Vibration - Rotation
نویسنده
چکیده
Large-order perturbation theory in D ?1=2 , where D is the dimensionality of space, is shown to be an accurate and computationally eecient method for computing molecular vibration-rotation spectra. Results are presented for the ground vibrational state of CO 2 with J as high as 80. The rate of convergence of the perturbation expansion increases with J and the computational cost scales only as JN 5=3 v , where N v is the number of vibrational basis functions. Therefore, this approach seems to be especially well suited for treating highly excited rotational states.
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