SDCI with several roots

Posted by Evgeniy on November 20, 2001 at 19:06:36:

Hello everybody!
I will highly appreciate if anyone tell me what program
module have I to use to perform usual (simple) SDCI
(using ground state configuration as a reference)
and obtain root for ground state and roots for several
excited states (the other than ground state symmetries)
simultaneously. Is it possible to do it using MRCI
module?

Best regards

Evgeniy.

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• Re: SDCI with several roots perake 08:37:29 11/21/01 (0) 130.235.29.112

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: Hello everybody! : I will highly appreciate if anyone tell me what program : module have I to use to perform usual (simple) SDCI : (using ground state configuration as a reference) : and obtain root for ground state and roots for several : excited states (the other than ground state symmetries) : simultaneously. Is it possible to do it using MRCI : module? : Best regards : Evgeniy.