MPSH orbital denisty

[Khattab]

Dear All ,
Can i measure the orbital density of MPSH on the clips atoms of an two- probe system???
Regards,
Khattab 

[Jess Wellendorff]

Dear Khattab,
I do not quite understand the question. What does MPSH denote?

[Khattab]

Dear Dr Jess wellendrof,
MPSH mean molecular projected self Hamiltonian,
Regards,
Khattab

[Anders Blom]

But the real question is, what is "orbital density"? And what are "clips atoms"?

[Khattab]

Dear Dr Anderson Blom,
Orbital density as i understand is the density of the electrons on given molecular orbital,
clips atoms are atoms used to link organic molecules to metallic electrode, in order to build a two-probe system, usually be sulfur atoms,

Regards,
Khattab   

[Anders Blom]

So what you probably want is to compute the eigenstate (http://quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.eigenstate.html) projected on some specific atoms.