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Calculation of the vibrational distribution in quenching of Na(32P) by N2, and CO

Authors
Journal
Chemical Physics
0301-0104
Publisher
Elsevier
Publication Date
Volume
59
Identifiers
DOI: 10.1016/0301-0104(81)80089-4
Disciplines
  • Physics

Abstract

Abstract A surface-hopping trajectory model has been developed to compute the quantum mechanical vibrational distribution for electronic-to-vibrational energy t processes. The vibrational motion of the system is treated using a harmonic-oscillator wave packet, and it is assumed that vibrational excitation or de can only occur near the crossing of two diabatic potential surfaces. The model is applied to the quenching of Na(3 2P) by N 2 and CO, and the vib populations are given by a double Franck—Condon distribution. Excellent agreement is obtained with experimental results.

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