[gpaw-users] GW

Michael F. Peintinger mpei at thch.uni-bonn.de
Wed Jul 14 08:20:10 CEST 2010

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Dear all,

can anyone please tell me how to set up a GW calculation for a molecule?

I would like to calculate the energy difference for singlet and triplet
state for a organic molecule.

Best regards


Michael

-- 
Dipl. Chem. Michael F. Peintinger

Institute of Physical and
Theoretical Chemistry

Wegelerstr.12
D-53115 Bonn

Telefon: 0228/73-2998
E-Mail: mpei at thch.uni-bonn.de

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