Acta Chimica Sinica ›› 1996, Vol. 54 ›› Issue (3): 261-265. Previous Articles     Next Articles

Original Articles

三原子分子振转激发态成簇现象理论研究

谢军楷;谢代前;田安民;鄢国森   

  1. 四川大学化学系
  • 发布日期:1996-03-15

Theoritical studies of clustering rovibrational energy levels in the highly excited H~2O molecule

XIE JUNKAI;XIE DAIQIAN;TIAN ANMIN;YAN GUOSEN   

  • Published:1996-03-15

The clustering of rovibrational energy levels in the highly excited H~2O molecule has been investigated by using a variational procedure and the bending-rotation Hamiltion in which the radial cooridates are fixed to their equilibrium values. This clustring effects begins with thecritical value of total angular momentum J~c, which for H~2O is 26. The appearance of four-fold clusters of energy levels as consequence of molecular geometry stabilization is predicted. This clustering structure has not been brokendown in the excited vibrational states.

Key words: FUNCTION, QUANTUM MECHANICS, VARIATIONAL METHOD, TRIATOMIC MOLECULE, CRITICAL STATE

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