Schaniel D, Woike Th, Delley B, Schefer J, Imlau M
J Chem Phys. 2005 Jul 22;123(4):047101; author reply 047102. doi: 10.1063/1.1989317.
We discuss the computational results of the "Theoretical study of the photoinduced transfer among the ground state and two metastable states in [Fe(CN)5NO]2-" [J. Chem. Phys. 122, 074314 (2005)] with respect to our previously reported polarized absorption study on the metastable states SI and SII in Na2[Fe(CN)5NO]2H2O [D. Schaniel, J. Schefer, B. Delley, M. Imlau, and Th. Woike, Phys. Rev. B 66, 085103 (2002)].
我们讨论了《[Fe(CN)5NO]2-基态与两个亚稳态之间光致转移的理论研究》[《化学物理杂志》122, 074314 (2005)]的计算结果，该结果与我们之前报道的关于Na2[Fe(CN)5NO]2H2O中亚稳态SI和SII的偏振吸收研究[D. 沙尼尔、J. 谢弗、B. 德利、M. 伊姆劳和Th. 沃伊克，《物理评论B》66, 085103 (2002)]相关。
