A COMPARATIVE-STUDY OF THEORETICAL METHODS FOR THE ANALYSIS OF HIGH-RESOLUTION DOUBLE-CHARGE-TRANSFER SPECTRA, APPLIED TO THE ETHENE MOLECULE

被引：4

作者：

ANDREWS, SR ^{[1
]}

PARRY, DE ^{[1
]}

机构：

[1] UNIV COLL SWANSEA,DEPT CHEM,SWANSEA SA2 8PP,W GLAM,WALES

来源：

RAPID COMMUNICATIONS IN MASS SPECTROMETRY | 1993年 / 7卷 / 06期

关键词：

D O I：

10.1002/rcm.1290070630

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

The low-energy electronic states of the ethene dication are investigated theoretically, a comparison being made between the predictions of the ab initio ADC(2) Green's function method and of the recently developed semi-empirical MSXalpha method. Both methods provide a consistent unambiguous analysis of the closely-spaced peak structure recently observed in a high-resolution double-charge-transfer spectrum for the ethene molecule.

引用

页码：552 / 554

页数：3

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