Importance of reference Hamiltonians containing exact exchange for accurate one - shot GW calculations of Cu
نویسندگان
چکیده
Leah Y. Isseroff1 and Emily A. Carter2,* 1Department of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544-5263, USA 2Department of Mechanical and Aerospace Engineering, Program in Applied and Computational Mathematics, and Andlinger Center for Energy and the Environment, Princeton University, Princeton, New Jersey 08544-5263, USA (Received 17 January 2012; revised manuscript received 10 April 2012; published 22 June 2012)
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