✦ LIBER ✦

The Size of Molecular Rydberg States Revisited

✍ Scribed by Arthur M. Halpern

Publisher: Elsevier Science
Year: 1996
Tongue: English
Weight: 64 KB
Volume: 180
Category: Article
ISSN: 0022-2852
DOI: 10.1006/jmsp.1996.0235

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✦ Synopsis

The isotropic diameters, d vol , of several rare gases and molecules in their ground and electronically excited states are calculated from the volumes obtained using a Monte Carlo integration of the electronic wave function that covers ú98% of the electron density. This method provides a more reliable estimate as compared with the root-mean-square value of the electronic displacement previously reported. d vol values for several molecular ground, intravalence, and Rydberg excited states are reported, and comparisons are made with experimental estimates of the increases in the molecular sizes of Rydberg states based on lineshape perturbations with Ar.

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