Subject: Electronic configuration of the excited state

From: "6!Q8@W" <dxl*at*mail.ustc.edu.cn>
Date: Wed, 17 Dec 2003 17:48:18 +0800

Dear CCLs:

I want to know how to determine the electronic configuration of the excited state below?

Excited State   1:   ?Spin  -A"     0.3210 eV 3862.42 nm  f=0.0000
    16A -> 28A       -0.41371
    19A -> 28A        0.61820
    21A -> 28A       -0.63309
    26A -> 28A        0.72077
    27A -> 28A       -0.50063
    16B -> 28B       -0.46365
    19B -> 28B       -0.84094
    19B -> 29B       -0.17964
    21B -> 28B       -0.46319
    26B -> 28B        0.80347
    26B -> 29B        0.11637

Ground state:
Orbital Symmetries:
  Alpha Orbitals:
      Occupied  (A') (A') (A') (A') (A') (A') (A") (A') (A') (A")
                (A') (A') (A') (A') (A") (A') (A') (A") (A') (A")
                (A') (A") (A') (A') (A") (A') (A')
      Virtual   (A") (A') (A') (A") (A') (A') (A") (A') (A') (A')
                (A") (A') (A') (A") (A') (A") (A') (A') (A") (A')
                (A') (A') (A") (A') (A') (A") (A') (A") (A') (A")
                (A') (A') (A') (A") (A') (A") (A') (A') (A') (A')
                (A") (A') (A") (A") (A') (A') (A') (A") (A') (A')
                (A') (A') (A") (A') (A") (A') (A') (A") (A') (A")
                (A') (A') (A') (A") (A') (A") (A') (A') (A") (A')
                (A") (A') (A") (A') (A") (A') (A') (A") (A') (A')
                (A') (A") (A') (A") (A') (A') (A") (A') (A") (A')
                (A') (A") (A') (A') (A')
  Beta Orbitals:
      Occupied  (A') (A') (A') (A') (A') (A") (A') (A') (A") (A')
                (A') (A') (A') (A") (A') (A") (A') (A') (A") (A')
                (A") (A') (A") (A') (A') (A") (A')
      Virtual   (A') (A') (A') (A") (A') (A") (A') (A') (A') (A')
                (A") (A') (A') (A") (A') (A") (A') (A') (A") (A')
                (A') (A') (A") (A') (A') (A") (A') (A") (A') (A")
                (A') (A') (A') (A") (A') (A") (A') (A') (A') (A')
                (A") (A") (A") (A') (A') (A') (A') (A") (A') (A')
                (A') (A") (A') (A') (A") (A') (A') (A") (A") (A')
                (A') (A') (A") (A') (A") (A') (A') (A') (A") (A")
                (A') (A") (A') (A") (A') (A') (A') (A") (A') (A')
                (A") (A') (A') (A") (A') (A') (A") (A') (A") (A')
                (A") (A') (A') (A') (A')

!!!!!!!!!!!!!!!!!!!!!!!!!!!!dxl*at*mail.ustc.edu.cn
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!2003-12-17
=================================================
   Xunlei Ding
   Ph.D. Candidate
   Open Laboratory of Bond Selective Chemistry,
   University of Science and Technology of China,
   Hefei, Anhui, 230026,
   People's Republic of China
   Tel.: 86-551-3606428
   Fax.: 86-551-3602969
   http://www.bsc.ustc.edu.cn/~dxl