Variational calculations of vibrational energy levels for XY4molecules 1. Stretching states
نویسندگان
چکیده
منابع مشابه
Variational calculations of vibrational energy levels for XY4 molecules 1. Stretching states
A variational method for calculating excited stretching states of symmetric tetrahedral pentaatomic molecules is presented based on the use of Radau coordinates and Morse oscillator-like basis functions. Symmetry is used both to reduce the size of the secular matrix to be diagonalized and to calculate the potential energy matrix elements over a reduced grid of quadrature points. Test results ar...
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ژورنال
عنوان ژورنال: Molecular Physics
سال: 2002
ISSN: 0026-8976,1362-3028
DOI: 10.1080/00268970210126628