The energy band structures were studied with the method of EHMO/CO for transition metal phthalocyanines.
用EHMO/CO方法对过渡金属酞菁化合物的能带结构进行了研究。
On the basis of the tight-binding approach in the energy-band theory, the EHMO crystal orbit program to be used in a microcomputer was compiled in the FORTRAN language.