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Bound and continuum vibrational states of the bifluoride anion

✍ Scribed by V. Špirko; M. Šindelka; R.N. Shirsat; J. Leszczynski

Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
271 KB
Volume
376
Category
Article
ISSN
0009-2614

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✦ Synopsis

The energies of the bound vibrational states and energy density spectra of the continuum vibrational states of FHF À are calculated, ÔexactlyÕ and ÔadiabaticallyÕ, using a new ab initio (CCSD(T)) potential energy surface. Statistical properties of the bound states are probed in terms of the density of states and nearest neighbor level spacing distributions (NNSD). Importantly, the approximate ÔadiabaticÕ densities coincide nearly quantitatively with their ÔexactÕ counterparts. A quantitative fitting of the NNSDs is achieved with a new empirical modification of the Wigner distribution.

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