A theoretical comparison on vertical excited states of free-base porphin

作者：Ren YL; Wan J^*; Liu JJ; Wan HW

来源：Acta Physico - Chimica Sinica, 2004, 20(9): 1089-1092.

DOI：10.3866/PKU.WHXB20040906

• singlet vertical excited states
• TDDFT
• INDO/S
• ZINDO

The singlet vertical excited states of free-base porphin (FBP) have been investigated by TDDFT, ZINDO and INDO/S. The results show that both ZINDO and INDO/S could be effectively applied to the calculation of the low-lying excited states of large biological chromophores.

• 出版日期2004-9
• 单位华中师范大学