Bound and continuum vibrational states of the bifluoride anion

Spirko, V.; Sindelka, M.; Shirsat, R.N.; Leszczynski, J.

dc.contributor.author	Spirko, V.
dc.contributor.author	Sindelka, M.
dc.contributor.author	Shirsat, R.N.
dc.contributor.author	Leszczynski, J.
dc.date.accessioned	2015-06-03T08:02:06Z
dc.date.available	2015-06-03T08:02:06Z
dc.date.issued	2003
dc.identifier.citation	Chemical Physics Letters. 376(5and6); 2003; 595-605.	en_US
dc.identifier.uri	http://dx.doi.org/10.1016/S0009-2614(03)01036-4
dc.identifier.uri	http://irgu.unigoa.ac.in/drs/handle/unigoa/1490
dc.description.abstract	The energies of the bound vibrational states and energy density spectra of the continuum vibrational states of FHF-are calculated, 'exactly' and 'adiabatically', 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 'adiabatic' densities coincide nearly quantitatively with their 'exact' counterparts. A quantitative fitting of the NNSDs is achieved with a new empirical modification of the Wigner distribution.	en_US
dc.publisher	Elsevier	en_US
dc.subject	Chemistry	en_US
dc.title	Bound and continuum vibrational states of the bifluoride anion	en_US
dc.type	Journal article	en_US
dc.identifier.impf	y