Re: CCL:orbitals and reality

Wouldn't also be a good idea to see something published (comment or another paper) by the guy (Sengen Sun) who has started the discussion? If he is so very much determined that the authors have not made an important step forward on the (possible) mapping of MOs then his comments would be highly appreciated by the "misleaded" scientific community.

Cheers
Demetrios

p.s. respect to the people who not only performed a study but they published it as well.



 From: Computational Chemistry List on behalf of Sengen Sun
 Sent: Mon 1/17/2005 4:46 PM
 To: chemistry.-at-.ccl.net
 Subject: CCL:orbitals and reality
 I have been asked to make a summary on this year
 discussion on this subject. I received responces from
 10 this year. 3 of them are neutral, 5 agree, and 2
 disagree. I am specially interested in the
 disagreements and therefore post them here. I would
 think the first one might be meaningful. And we will
 have to see.
 I would be much happier if Mikael P Johansson and any
 one else could also critisize my earlier postings on
 the List as well :-). Here are two examples:
 http://www.ccl.net/cgi-bin/ccl/message.cgi?2003+07+28+001;
 http://www.ccl.net/cgi-bin/ccl/message.cgi?2003+06+02+016;
 The second disagreement is not specific enough. But I
 will address it later after Mikael P Johansson's next
 message or posting.
 Cheers!
 Sengen
 --- Mikael P Johansson <mikael.johansson.-at-.helsinki.fi>
 wrote:
   
Well, if it helps, I disagree with you :-) I will
 write up a "pro-orbital"
 mail for CCL as soon as my work load permits.
 Happy New Year,
     Mikael J.
     http://www.helsinki.fi/~mpjohans/
     

   
--- ()at()yahoo.com> wrote:
   
Hello Dr. Sun,
 It's interesting to see your posts about that paper.
 Since I am very busy I have not read the details of
 the paper. However it
 looks like what they did in the paper is very
 important and meaningful.
 I think they derived some information about the
 orbital from experiments
 and data analysis, similar to the X-ray data
 analysis in some sense. Also
 they mentioned that the phase component of the wave
 function is arbitary.
 Very likely they derived the real part or the
 imaginative part, or at
 least some of either.  So it's still very meaningful
     

   

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