Dear Ali,
I think this is a good reference on this topic: J. P. Perdew, R. G. Parr, M. Levy, and J. L. Balduz, Phys. Rev. Lett. 49, 1691 (1982) Matteo kazempoor at ph.iut.ac.ir wrote: > Dear Stefano > > I now that these are affinity and ionization, But I don't understand why > ionization always is grater than affinity? I just want to know the physical > reason. > > > > Thanks a lot > > > > > Ali Kazempour > Physics Department, Isfahn University of Technology > > ----- Original Message ----- > From: "Stefano de Gironcoli" <degironc at sissa.it> > To: "PWSCF Forum" <pw_forum at pwscf.org> > Sent: Monday, May 3, 2010 6:10:25 PM > Subject: Re: [Pw_forum] add or remove electron energy > > it is the difference between electron affinity and ionization potential. > stefano > > kazempoor at ph.iut.ac.ir wrote: > >> Dear All >> I add one electron to an isolated atom and the difference in >> E(n+1)-E(n)=-0.09 Ryd but when I remove an electron from this atom >> I got E(n)-E(n-1)=-0.349 Ryd. >> what is the reason for this difference? I think that this behavior is same >> for every system. >> Thanks a lot >> Ali Kazempour >> Physics Department, Isfahan University of Technology >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> >> > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
