Ali Moradi delfani

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Questions related from Ali Moradi delfani

How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program?

How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program? for example: Excited State 17: Singlet-A 5.1359 eV 241.41 nm...

29 July 2024 9,118 2 View

How can we name the fchk file in Gaussian (I'm asking about fchk don't mistake it with chk, thanks)?

when we run our file with fchk additional keyword we get file with test.fchk name, how can we change test name?

27 September 2023 8,809 4 View