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M. Dehestani and Z. Kalantari The calculation of vibrational energy levels of polyatomic molecules including anharmonic effect using contact transformation perturbation method International Journal of Quantum Chemistry 113

Version of Record online: 30 JUL 2012 | DOI: 10.1002/qua.24232

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In literature, general expressions for anharmonic constants can be derived only when the cubic and quartic parts of the potential function are considered as perturbations in the calculation of vibrational energies levels. In this work, the general expression is extended to higher, up to the sixth, orders.

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