A new method for the derivation of exact vibration-rotational kinetic energy operator in internal coordinates  

作　　者：陈光巨 刘若庄 

机构地区：[1]Department of Chemistry,Beijing Normal University,Beijing 100875,China

出　　处：《Science China Chemistry》1997年第5期517-522,共6页中国科学（化学英文版）

基　　金：Project supported by the National Natural Science Foundation of China (No 29573096)

摘　　要：An efficient angular momentum method is presented and used to derive analytic expressions for the vibration-rotational kinetic energy operator of polyatomic molecules.The vibration-rotational kinetic energy operator is expressed in terms of the total angular momentum operator J,the angular momentum operator J and the momentum operator p conjugate to Z in the molecule-fixed frame Not only the method of derivation is simpler than that in the previous work,but also the expressions ot the kinetic energy operators arc more compact.Particularly,the operator is easily applied to different vibrational or rovibrational problems of the polyatomic molecules by variations of matrix elements Gn of a mass-dependent constant symmetric matrixAn efficient angular momentum method is presented and used to derive analytic expressions for the vibration-rotational kinetic energy operator of polyatomic molecules.The vibration-rotational kinetic energy operator is expressed in terms of the total angular momentum operator J,the angular momentum operator J and the momentum operator p conjugate to Z in the molecule-fixed frame Not only the method of derivation is simpler than that in the previous work,but also the expressions ot the kinetic energy operators arc more compact.Particularly,the operator is easily applied to different vibrational or rovibrational problems of the polyatomic molecules by variations of matrix elements Gn of a mass-dependent constant symmetric

关 键 词：ANGULAR MOMENTUM vibration rotation kinetic energy OPERATOR internal COORDINATES 

分 类 号：O641[理学—物理化学]