Direct SCF direct static-exchange calculations of electronic spectra

被引：170

作者：

Agren, H

Carravetta, V

Vahtras, O

Pettersson, LGM

机构：

[1] CNR, IST CHIM QUANTIST & ENERGET MOL, I-56100 PISA, ITALY

[2] UNIV STOCKHOLM, FYSIKUM, S-11385 STOCKHOLM, SWEDEN

来源：

THEORETICAL CHEMISTRY ACCOUNTS | 1997年 / 97卷 / 1-4期

关键词：

direct methods; excited states; oligomers; adsorbates; X-ray spectra;

D O I：

10.1007/s002140050234

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：

Applications of the direct SCF direct static-exchange method are reviewed for three different types of systems (fret molecules, polymers, and surface adsorbates) and for six types of spectroscopy (X-ray absorption-, -emission-, and -shake-up spectroscopy: ultraviolet photoelectron emission, X-ray Raman and circular dichroism spectroscopy.

引用

收藏

页码：14 / 40

页数：27

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