Green's Function Determination of Force Constants‐H2O as Example

Chung Yuan Mou, Tunli Chen

研究成果: 雜誌貢獻文章同行評審

摘要

Treating isotopically substituted molecule as a perturbed system, Green'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 ate given and complete internal force field can be obtained. The results for H2O are discussed.
原文英語
頁(從 - 到)49-56
頁數8
期刊Journal of the Chinese Chemical Society
19
發行號2
DOIs
出版狀態已發佈 - 6月 1972
對外發佈

ASJC Scopus subject areas

  • 化學 (全部)

指紋

深入研究「Green's Function Determination of Force Constants‐H2O as Example」主題。共同形成了獨特的指紋。

引用此