[Pw_forum] add or remove electron energy

[Matteo Cococcioni]

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
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>
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