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

Chung Yuan Mou, Tunli Chen

Research output: Contribution to journalArticlepeer-review


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.

Original languageEnglish
Pages (from-to)49-56
Number of pages8
JournalJournal of the Chinese Chemical Society
Issue number2
Publication statusPublished - Jun 1972
Externally publishedYes

ASJC Scopus subject areas

  • Chemistry(all)


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