MRPT2相关论文
用MRPT2//CASSCF方法和cc—pVTZ基组构建了SO2分子基态11A1和低激发态21A1,11A2,11B1,11B2,13A1,13A2,13B1,13B2共9个电子态的势能......
The potential energy surfaces for the nine low-lying electronic states of SO2 have been constructed by using the multi-r......
