[molpro-user] Failure of analying the compositions of BEs in DFT-SAPT

wu150677 at yahoo.com wu150677 at yahoo.com
Sat Jun 4 16:46:54 CEST 2016

Dear mailing list,I'm analyzing the compositions of BEs using DFT-SAPT by the Molpro package,,but my efforts failed.,I can't always obtain the HOMO energy about Ne and Ar that is same as the example from  35.7.2,manu .I want to know your method.And could you give  me the outfile about the example from 35.7.2,manu.Best wishes.Wu Tian.

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