在哈特里-福克和激子近似下对胞嘧啶和鸟嘌呤堆积中激发态的研究。
A study of the excited states in cytosine and guanine stacks in the Hartree-Fock and exciton approximations.
作者信息
Grobelsek-Vracko M, Zaider M
机构信息
Center for Radiological Research, College of Physicians and Surgeons, Columbia University, New York 10032.
出版信息
Radiat Res. 1994 Apr;138(1):18-25.
PMID:8146296
Abstract
We report calculated exciton energies for the cytosine and guanine stacks obtained in the ab initio Hartree-Fock crystal orbital and exciton approximation, which includes the excited electron-hole interaction. This interaction plays an important role in the description of excited electron spectra in the low-energy region. The stacks were chosen as examples of polymers with helical symmetry.
摘要
我们报告了通过从头算哈特里-福克晶体轨道和激子近似得到的胞嘧啶和鸟嘌呤堆积的计算激子能量，其中包括激发的电子-空穴相互作用。这种相互作用在低能区激发电子光谱的描述中起着重要作用。这些堆积被选作具有螺旋对称性聚合物的例子。
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