Subject: Fwd: CCL:phase/orbitals

From: <[email-masked]>
Date: Thu, 14 Jun 2001 13:40:54 +1000

>From: "N. Sukumar" <[email-masked]>
>Date: Wed, 13 Jun 2001 21:26:05 -0400
>To: [email-masked]
>Subject: CCL:phase/orbitals
>Sender: "Computational Chemistry List" <[email-masked]>
>
>The approximate nature of orbitals in many-electron systems is indeed a very
>different issue from the question of "observability" or "physical reality".
>

Note that physical methods such as electron momentum spectroscopy 
(EMS) can probe the momentum distributions of orbitals (especially 
valence orbitals) and in that sense allows one to 'visualize' them. 
It is possible to get extremely nice agreement between the 
theoretical momentum distributions from DFT calculations, for 
example, and the experimentally observed MDs.

-- 
Cheers,

Dave

Dr. David A. Winkler                    Email: [email-masked]  
Senior Principal Research Scientist     Voice: 61-3-9545-2477     
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