Jahn-Teller E-e Problem: Diagonalization by Means of a Transformed Basis

نویسندگان

  • M. Birkhold
  • M. Wagner
چکیده

A u n i t a r y t rans format ion is appl ied to the E-e J a h n T e l l e r problem. T h e eigenfunctions of the diagonal par t of the t r a n s f o r m e d H a m i l t o n i a n are uti l ized for a R i t z diagonal izat ion procedure. R e s u l t s are g i v e n for basic sets of 1 2 , 20 and 42 funct ions and compared with the respect ive conventional ca lculat ions . I n the t r a n s f o r m e d picture the e x a c t results are approached in a d i f ferent manner t h a n in the original one a n d thus the re l iabi l i ty of the numerical work is improved .

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تاریخ انتشار 2012