[Pw_forum] dos
Davide Ceresoli
ceresoli at MIT.EDU
Fri May 8 17:38:40 CEST 2009
yaldaa kh wrote:
>
> dear all
> after such considerable discussion my problem to project dos to
> molecular (not atomic) orbital (specially antibonding ) has not solved.
> Please anyone explain to me.
> thanks
> yalda
>
>
Dear Yalda,
you can have a look at this paper:
Vibrational recognition of adsorption sites for CO on platinum-and
platinum-ruthenium surfaces
Dabo I., Wieckowski A., Marzari N.
Journal of the American Chemical Society 129, 11045-11052 (2007)
DOI: http://dx.doi.org/10.1021/ja067944u
HTH.
Davide
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Davide Ceresoli <ceresoli at mit.edu>
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