QUANTUM CHEMICAL STUDY ON COMPLEXES OF THE LIH MOLECULE WITH E(+), PS AND PS(-) INCLUDING CORRELATION ENERGY

摘要

SCF and CI energies of the LiH, LiH-, e(+)LiH, LiHPs and LiHPs(-) systems have been evaluated in the extended basis set at the experimental geometry of LiH. Electron and positron affinities of the LiH molecule have been compared. The results indicate the importance of the correlation energy in positron-molecule complexes. [References: 9]