The similarity and dissimilarity of reactive scattering wave functions and molecular orbitalby linear combination of atomic orbitals(LCAOMO)are examined.Based on the similarity a method is pro-posed to construct the r...The similarity and dissimilarity of reactive scattering wave functions and molecular orbitalby linear combination of atomic orbitals(LCAOMO)are examined.Based on the similarity a method is pro-posed to construct the reactive scattering wave functions by linear combination of arrangement channel wavefunctions(LCACSW).Based on the dissimilarity,it is shown that the combination coefficients can be deter-mined by solving s set of simultaneous algebraic equations.The elements of the reactive scattering matrix areshown to be related to the combination coefficients of open arrangement channels.The differential and totalreactive scattering cross-section derived by this method agrees completely with that derived by other meth-ods.展开更多
基金the National Natural Science Foundation of China
文摘The similarity and dissimilarity of reactive scattering wave functions and molecular orbitalby linear combination of atomic orbitals(LCAOMO)are examined.Based on the similarity a method is pro-posed to construct the reactive scattering wave functions by linear combination of arrangement channel wavefunctions(LCACSW).Based on the dissimilarity,it is shown that the combination coefficients can be deter-mined by solving s set of simultaneous algebraic equations.The elements of the reactive scattering matrix areshown to be related to the combination coefficients of open arrangement channels.The differential and totalreactive scattering cross-section derived by this method agrees completely with that derived by other meth-ods.
