Spectroscopic Parameter and Molecular Constant Investigations on Low-Lying States of BeF Radical
نویسندگان
چکیده
منابع مشابه
Spectroscopic Parameter and Molecular Constant Investigations on Low-Lying States of BeF Radical
The potential energy curves (PECs) of X(2)∑(+), A(2)Π(r) and B(2)∑(+) states of BeF radical have been investigated using the complete active space self-consistent-field (CASSCF) method, followed by the highly accurate valence internally contracted multireference configuration interaction (MRCI) approach at the correlation-consistent basis sets, cc-pV5Z for Be and aug-cc-pV6Z for F. Based on the...
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ژورنال
عنوان ژورنال: International Journal of Molecular Sciences
سال: 2012
ISSN: 1422-0067
DOI: 10.3390/ijms13022501