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RE: [abinit-forum] question about ixc=2


Chronological Thread 
  • From: "Allan, Douglas C Dr" <AllanDC@corning.com>
  • To: forum@abinit.org
  • Subject: RE: [abinit-forum] question about ixc=2
  • Date: Fri, 28 Sep 2007 14:30:16 -0400

Perdew and Zunger Physical Review B Volume 23 page 5048, year 1981.
See Appendix C for what is known as the "Perdew-Zunger parameterization
of Ceperly-Alder energies" for the correlation energy. There is no
Ceperly-Alder functional. There are Ceperly-Alder energies that are fit
by various other authors, as Matthieu mentioned in previous email.
Regards,
Doug Allan

-----Original Message-----
From: Hua Bao [mailto:hbao@purdue.edu]
Sent: Friday, September 28, 2007 2:04 PM
To: forum@abinit.org
Subject: [abinit-forum] question about ixc=2

Dear all,

I found this on abinit website.
# 2=> LDA, Perdew-Zunger-Ceperley-Alder (no spin-polarization)


Is there any detailed description for this exchange and correlation? I
appreciate if anyone can give me a reference of this exchange and
correlation. Is it the same as others mentioned "using the
Coperley-Alder functional for exchange-correlation energy"?

Thanks,
Hua





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