The SCF-SW-Xa method proposed by Slater and Johnson is now reprogrammed via BCY language and implemented in a TQ-16 computer made in China. By means of this program, a few middle size molecules with Td symmetry have b...The SCF-SW-Xa method proposed by Slater and Johnson is now reprogrammed via BCY language and implemented in a TQ-16 computer made in China. By means of this program, a few middle size molecules with Td symmetry have been calculated. In this letter, the展开更多
文摘The SCF-SW-Xa method proposed by Slater and Johnson is now reprogrammed via BCY language and implemented in a TQ-16 computer made in China. By means of this program, a few middle size molecules with Td symmetry have been calculated. In this letter, the