Abstract
We formulate a general method for calculating energy eigenvalues and eigenfunctions in a simultaneous analysis of nearly degenerate vibrational-rotational bands of spherical top molecules. The basis functions are products of rigid rotor and N-dimensional harmonic oscillator eigenfunctions. General explicit expressions are derived for the matrix elements of vibrational operators in the basis of N-dimensional harmonic oscillator eigenfunctions. Using these general expressions, the matrix elements of vibrational operators in the basis of five-dimensional harmonic oscillator eigenfunctions applicable, for example, in the analysis of the nearly degenerate ν2 and ν4 fundamental vibrational-rotational bands of tetrahedral XY 4 molecules like CH4, are calculated explicitly.
Original language | English (US) |
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Pages (from-to) | 3908-3912 |
Number of pages | 5 |
Journal | The Journal of chemical physics |
Volume | 76 |
Issue number | 8 |
DOIs | |
State | Published - 1982 |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy
- Physical and Theoretical Chemistry