Please use this identifier to cite or link to this item: http://hdl.handle.net/10316/8301
Title: Nuclear dynamics in the vicinity of a crossing seam: Vibrational spectrum of HD2 revisited
Authors: Xu, Z. R. 
Varandas, A. J. C. 
Issue Date: 2001
Citation: International Journal of Quantum Chemistry. 83:5 (2001) 279-285
Abstract: So far, most studies of the geometric phase effect have presumed that the phase is path-independent; hence, one must supply another restriction concerning the boundary condition on the nuclear wave functions when dealing with nonsymmetric isotopomers of X3 systems. We report calculations of the vibrational spectra of HD2 using a recently proposed generalized Born-Oppenheimer (GBO) formalism. The calculations demonstrate that there are significant differences between the results calculated from the present GBO method and those based on the preceding presumption. © 2001 John Wiley & Sons, Inc. Int J Quant Chem 83: 279-285, 2001
URI: http://hdl.handle.net/10316/8301
DOI: 10.1002/qua.1055
Rights: openAccess
Appears in Collections:FCTUC Química - Artigos em Revistas Internacionais

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