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

Authors
ANDREWS SR PARRY DE
Citation
Sr. Andrews et De. Parry, A COMPARATIVE-STUDY OF THEORETICAL METHODS FOR THE ANALYSIS OF HIGH-RESOLUTION DOUBLE-CHARGE-TRANSFER SPECTRA, APPLIED TO THE ETHENE MOLECULE, Rapid communications in mass spectrometry, 7(6), 1993, pp. 552-554
Citations number
13
Categorie Soggetti
Spectroscopy,"Chemistry Analytical
Journal title
Rapid communications in mass spectrometry → ACNP
ISSN journal
09514198
Volume
7
Issue
6
Year of publication
1993
Pages
552 - 554
Database
ISI
SICI code
0951-4198(1993)7:6<552:ACOTMF>2.0.ZU;2-Y
Abstract
The low-energy electronic states of the ethene dication are investigat ed theoretically, a comparison being made between the predictions of t he ab initio ADC(2) Green's function method and of the recently develo ped semi-empirical MSXalpha method. Both methods provide a consistent unambiguous analysis of the closely-spaced peak structure recently obs erved in a high-resolution double-charge-transfer spectrum for the eth ene molecule.