CORRELATION PHENOMENA IN THE IONIZATION OF CN DIMERS

被引：24

作者：

SCHELLER, MK ^{[1
]}

WEIKERT, HG ^{[1
]}

CEDERBAUM, LS ^{[1
]}

TARANTELLI, F ^{[1
]}

机构：

[1] UNIV PERUGIA,DEPARTIMENTO CHIM,I-06100 PERUGIA,ITALY

来源：

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA | 1990年 / 51卷

关键词：

D O I：

10.1016/0368-2048(90)80143-X

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

We present a theoretical analysis of the molecules cyanogen (NCCN), isocyanogen (CNCN) and diisocyanogen (CNNC) on the basis of Hartree-Fock (HF) calculations and of more sophisticated many-body computations represented by Green's function approaches such as ADC(3) and OVGF. Geometries, stabilities and binding as well as ionization properties are discussed and interrelated for the molecules mentioned above by use of orbital correlation diagrams and theoretical photoelectron spectra shown in this work. © 1990.

引用

页码：75 / 89

页数：15

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