：The coherent potential approalmation (CPA) is used in the calculation of thevibrational spectra for absorbed 12CN- /13CN- mixtures on gold. The theoretical resultsare compared with the surface IR-spectra of 12CN-/13...：The coherent potential approalmation (CPA) is used in the calculation of thevibrational spectra for absorbed 12CN- /13CN- mixtures on gold. The theoretical resultsare compared with the surface IR-spectra of 12CN-/13CN- ndture absorbed on roughAu-electrod. The results show that in the systems consisting of isotopic drixtures of CN-on Au(100), molecules interact mainly through their dipole fields.展开更多
文摘：The coherent potential approalmation (CPA) is used in the calculation of thevibrational spectra for absorbed 12CN- /13CN- mixtures on gold. The theoretical resultsare compared with the surface IR-spectra of 12CN-/13CN- ndture absorbed on roughAu-electrod. The results show that in the systems consisting of isotopic drixtures of CN-on Au(100), molecules interact mainly through their dipole fields.
