화학공학소재연구정보센터
Chemical Physics Letters, Vol.512, No.1-3, 40-43, 2011
The MRCI studies of low-lying electronic states of Al-3 and Al-3(-)
The photodetachment transitions from two electronic states of Al-3(-) to four states of Al-3 have been studied by the MRCI calculations in an excellent agreement with the results of recent measurements on these systems, and the assignment of the transitions has been confirmed. Also the higher excited states have been characterized, and for 2 B-2(2), (4)A(2)'', (2)A(2), and B-4(2) terms of Al-3 substantial differences between their MRCI and single-reference descriptions have been found. (C) 2011 Elsevier B. V. All rights reserved.