Ionization potentials and electron affinities of Cux (n = 2-7) atomic clusters with the optimal geom etries have been calculated by use of SC F-Xa-SW method and Slater's transition state theory. Theo retical calc...Ionization potentials and electron affinities of Cux (n = 2-7) atomic clusters with the optimal geom etries have been calculated by use of SC F-Xa-SW method and Slater's transition state theory. Theo retical calcuIations show that the ionization potentiaIs and electron affinities of Cu. (n = 2-7) atom ic clusters have a sharp even / odd alternation with increasing their sizes, which are related to the electronic structure of Cun atomic clusters. The theoretical results are consistent with the related ex perimental ones.展开更多
Wavelet Neural Network (WNN) was employed in a rapid calculation of the atomic electron affinities, with atomic ionization potentials and atomic electron configurations chosen as input parameters. Many unmeasured valu...Wavelet Neural Network (WNN) was employed in a rapid calculation of the atomic electron affinities, with atomic ionization potentials and atomic electron configurations chosen as input parameters. Many unmeasured values were obtained, and the estimates appeared to be sufficiently accurate for potential applications.展开更多
文摘Ionization potentials and electron affinities of Cux (n = 2-7) atomic clusters with the optimal geom etries have been calculated by use of SC F-Xa-SW method and Slater's transition state theory. Theo retical calcuIations show that the ionization potentiaIs and electron affinities of Cu. (n = 2-7) atom ic clusters have a sharp even / odd alternation with increasing their sizes, which are related to the electronic structure of Cun atomic clusters. The theoretical results are consistent with the related ex perimental ones.
文摘Wavelet Neural Network (WNN) was employed in a rapid calculation of the atomic electron affinities, with atomic ionization potentials and atomic electron configurations chosen as input parameters. Many unmeasured values were obtained, and the estimates appeared to be sufficiently accurate for potential applications.
