calculation of diagonal Born-Oppenheimer correction term

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mehboob.cu
Posts: 26
Joined: 11 Nov 2013, 03:14
First name(s): Md. Mehboob
Last name(s): Alam
Affiliation: Universite de Strasbourg
Country: India

calculation of diagonal Born-Oppenheimer correction term

Post by mehboob.cu » 23 May 2014, 09:28

Dear Dalton users,

Is it possible to calculate the diagonal Born-Oppenheimer Correction in DALTON? Although I could not find anything in the manual but still If it is possible, then kindly suggest me the correct keyword.

With best regards,
Mehboob

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