Correlation effects and the 1s hole satellite spectrum of N2

Autor:	I.H. Hillier, Martyn F. Guest, John Kendrick, T. Darko, W. R. Rodwell
Rok vydání:	1977
Předmět:	Physics Scale (ratio) Excited state Ionization Spectrum (functional analysis) General Physics and Astronomy Satellite Physical and Theoretical Chemistry Atomic physics Configuration interaction Ground state Intensity (physics)
Zdroj:	Chemical Physics. 22:467-473
ISSN:	0301-0104
Popis:	Large scale CI calculations are used to predict the positions of the low lying satellite peaks associated with 1s ionization of N 2 . Multiply excited configurations are shown to be important in the interpretation of the satellite spectrum and a new assignment of the third and fourth observed satellites is proposed. A small scale CI calculation, including those configurations found to be important from the large scale calculation is used to interpret most of the peaks in the satellite spectrum, and also to compute their intensities. It is found that configuration interaction in the ground state of N 2 results in a large change in the predicted intensity of the second satellite peak.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::41e67bdb96325942a3bab774fc86b146 https://doi.org/10.1016/0301-0104(77)89032-0 Zobrazit plný text záznamu