Real-space analysis of electronic excitations in free-base (H2P) and magnesium (MgP) porphins

被引:14
作者
Tretiak, S
Chernyak, V
Mukamel, S
机构
[1] Univ Rochester, Dept Chem, Rochester, NY 14627 USA
[2] Univ Rochester, Rochester Theory Ctr Opt Sci & Engn, Rochester, NY 14627 USA
基金
美国国家科学基金会;
关键词
D O I
10.1016/S0009-2614(98)01110-5
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The absorption spectra of free-base and magnesium porphins are analyzed using collective electronic normal modes representing the changes in charge distributions and bond-order patterns induced by the optical field. High-frequency (4-6 eV) charge-transfer-type excitations are identified. (C) 1998 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:357 / 364
页数:8
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