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#1 Today 03:29:29

kecule
Member
Registered: 2026-08-24
Posts: 1

State averaging with different multiplicities

Hello,

Is it possible to do RASSCF state averaging with say, 3 singlets and 3 triplets?

Thank you.

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#2 Today 09:48:17

Ignacio
Administrator
From: Uppsala
Registered: 2015-11-03
Posts: 1,208

Re: State averaging with different multiplicities

Not for now, maybe not in a not too distant future, but do not hold your breath.

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