According to the linear algebra theory, a quantum chemistry computer program which uses the MOs of two or more isolated molecules of a chemical system or the fragments of a molecule as basis sets has been performed by...According to the linear algebra theory, a quantum chemistry computer program which uses the MOs of two or more isolated molecules of a chemical system or the fragments of a molecule as basis sets has been performed by the author(Fig. 1). A matrix展开更多
文摘According to the linear algebra theory, a quantum chemistry computer program which uses the MOs of two or more isolated molecules of a chemical system or the fragments of a molecule as basis sets has been performed by the author(Fig. 1). A matrix