说明:
Combined the thne dependent Hartree-Fock(TDHF)method and semiemprical quantum chemistry method MNDO, AM1 and PM3, a method for applying to calculate t ...展开
he linear optical absorption has been developed and routinized. This method can be used to calculated the linear optical absorption of unconjugation system and three-dimension molecular/polymer. So this method is becoming the most generally practical method in TDHF. 收起