Getting 2-electron-integrals

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Mats
Posts: 1
Joined: 10 Nov 2014, 16:28
First name(s): Mats
Last name(s): Simmermacher
Affiliation: University of Copenhagen
Country: Denmark

Getting 2-electron-integrals

Post by Mats » 10 Nov 2014, 16:38

Hi everyone.

For the purpose of checking a new subroutine I have written for the SOPPA code I would like DALTON to explicitly write out the 2-electron-integrals in MO-basis during a calculation. Is there any trick I can use to achieve that?

Thank you very much and best regards,
Mats

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