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A new exact quantum mechanical rovibrational kinetic energy operator for penta-atomic systems in internal coordinates 被引量:1
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作者 陈光巨 李玉学 《Science China Chemistry》 SCIE EI CAS 1999年第5期552-560,共9页
The concrete molecule-fixed (MF) kinetic energy operator for penta-atomic molecules is expressed in terms of the parameter δ, the matrix element Gij, and angular momentum operatorj. The applications of the operator a... The concrete molecule-fixed (MF) kinetic energy operator for penta-atomic molecules is expressed in terms of the parameter δ, the matrix element Gij, and angular momentum operatorj. 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. 展开更多
关键词 penta-atomic systems rovibrational KINETIC ENERGY OPERATOR INTERNAL coodinates.
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