ABINITIO CALCULATIONS ON THE ONE-PHOTON AND 2-PHOTON ELECTRONIC-TRANSITIONS OF CYCLOHEPTA-1,3,5-TRIENE AND CYCLOOCTA-1,3,5,7-TETRAENE

被引：3
|
作者：
GALASSO, V
机构：
[1] Dipartimento di Scienze Chimiche, Università di Trieste
来源：
CHEMICAL PHYSICS LETTERS | 1991年 / 177卷 / 06期
关键词：
D O I：
10.1016/0009-2614(91)90075-K
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 low-lying intravalence and Rydberg excited states of cyclohepta-1,3,5-triene and cycloocta-1,3,5,7-tetraene, accessed by one- and two-photon absorption, have been investigated at ab initio level by utilizing RPA vertical transition energies and amplitudes. The nature of the first valence-like excited states of cyclohepta-1,3,5-triene has also been studied by CI-SD calculations.
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页码：503 / 507
页数：5
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