Ab initio study of the electronic spectrum of BeO

Low-lying singlet and triplet electronic states of the BeO molecule are calculated by means of the quantum chemical ab initio method. It was found that all states in the energy range from 0 to 50000 cm-1 are of valence character. Particular attention was paid to the investigation of the dissociative...

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Main Authors:	MILJENKO PERIC, MICHAEL HANRATH, MAJA PARAC, IVANA ADAMOVIC
Format:	Article
Language:	English
Published:	Serbian Chemical Society 1999-12-01
Series:	Journal of the Serbian Chemical Society
Subjects:	electronic spectrum ab initio calculations valence - Rydberg interaction
Online Access:	http://www.shd.org.yu/HtDocs/SHD/Vol64/No12-Pdf/V64-No12-01.zip

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spelling	doaj-c0937ae10a0d482785cec6f7c1150a4e2020-11-24T22:49:43ZengSerbian Chemical Society Journal of the Serbian Chemical Society0352-51391999-12-016412721735Ab initio study of the electronic spectrum of BeO MILJENKO PERICMICHAEL HANRATHMAJA PARACIVANA ADAMOVICLow-lying singlet and triplet electronic states of the BeO molecule are calculated by means of the quantum chemical ab initio method. It was found that all states in the energy range from 0 to 50000 cm-1 are of valence character. Particular attention was paid to the investigation of the dissociative behavior of the states considered. The vibrational structure of the AIP<-XIS and BIS+<-XIS+ spectral systems was calculated.http://www.shd.org.yu/HtDocs/SHD/Vol64/No12-Pdf/V64-No12-01.zipelectronic spectrumab initio calculationsvalence - Rydberg interaction
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	MILJENKO PERIC MICHAEL HANRATH MAJA PARAC IVANA ADAMOVIC
spellingShingle	MILJENKO PERIC MICHAEL HANRATH MAJA PARAC IVANA ADAMOVIC Ab initio study of the electronic spectrum of BeO Journal of the Serbian Chemical Society electronic spectrum ab initio calculations valence - Rydberg interaction
author_facet	MILJENKO PERIC MICHAEL HANRATH MAJA PARAC IVANA ADAMOVIC
author_sort	MILJENKO PERIC
title	Ab initio study of the electronic spectrum of BeO
title_short	Ab initio study of the electronic spectrum of BeO
title_full	Ab initio study of the electronic spectrum of BeO
title_fullStr	Ab initio study of the electronic spectrum of BeO
title_full_unstemmed	Ab initio study of the electronic spectrum of BeO
title_sort	ab initio study of the electronic spectrum of beo
publisher	Serbian Chemical Society
series	Journal of the Serbian Chemical Society
issn	0352-5139
publishDate	1999-12-01
description	Low-lying singlet and triplet electronic states of the BeO molecule are calculated by means of the quantum chemical ab initio method. It was found that all states in the energy range from 0 to 50000 cm-1 are of valence character. Particular attention was paid to the investigation of the dissociative behavior of the states considered. The vibrational structure of the AIP<-XIS and BIS+<-XIS+ spectral systems was calculated.
topic	electronic spectrum ab initio calculations valence - Rydberg interaction
url	http://www.shd.org.yu/HtDocs/SHD/Vol64/No12-Pdf/V64-No12-01.zip
work_keys_str_mv	AT miljenkoperic abinitiostudyoftheelectronicspectrumofbeo AT michaelhanrath abinitiostudyoftheelectronicspectrumofbeo AT majaparac abinitiostudyoftheelectronicspectrumofbeo AT ivanaadamovic abinitiostudyoftheelectronicspectrumofbeo
_version_	1725675246580662272

Ab initio study of the electronic spectrum of BeO

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