Green's Function Determination of Force Constants-H2O as Example
學年 60
學期 2
出版(發表)日期 1972-06-01
作品名稱 Green's Function Determination of Force Constants-H2O as Example
作品名稱(其他語言)
著者 Mou, Chung-Yuan; 陳敦禮; Chen, Tun-Li
單位 淡江大學化學學系
出版者 臺北市:中國化學學會
著錄名稱、卷期、頁數 中國化學會會誌=Journal of the Chinese Chemical Society 19(2),頁49-56
摘要 Treating isotopically substituted molecule as a perturbed system, Grees’s function for the perturbation are constructed and related to the force field of vibration. By spectral representation, Green's function is diagonalized in the normal coordinates. Then transforming back to the Cartesian coordinates, the Cartesian force constants are generated without solving the secular equation directly. The relations between the internal force constants and the Cartesian force constants are given and complete internal forve field can be obtained. The results for H2O are discussed.
關鍵字
語言 en
ISSN 0009-4536
期刊性質 國內
收錄於
產學合作
通訊作者
審稿制度
國別 TWN
公開徵稿
出版型式 ,電子版,紙本
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