A new exact quantum mechanical rovibrational kinetic energy operator for penta-atomic systems in internal coordinates

作者：Chen GJ^*; Li YX

来源：Science in China Series B-Chemistry, 1999, 42(5): 552-560.

DOI：10.1007/BF02874279

• penta-atomic systems
• rovibrational kinetic energy operator
• internal coordinates

The concrete molecule-fixed (MF) kinetic energy operator for penta-atomic molecules is expressed in terms of the parameter delta, the matrix element G(y), and angular momentum operator (j) over cap. The applications of the operator are also discussed. Finally, a general compact form of kinetic energy operator suitable for calculating the rovibrational spectra of polyatomic molecules is presented.

• 出版日期1999-10
• 单位北京师范大学