CCL:G: AW: G: 6D, 5D and complex numbers

 Sent to CCL by: Susi Lehtola [susi.lehtola[a]alumni.helsinki.fi]
 On Tue, 22 Jan 2013 16:58:50 +0100
 "Georg Lefkidis lefkidis:-:physik.uni-kl.de"
 <owner-chemistry,ccl.net>
 wrote:
 > Sent to CCL by: "Georg Lefkidis" [lefkidis]~[physik.uni-kl.de]
 > Dear Susi,
 >
 > thank you for your reply, however, it does not really completely
 > answer my question. If the coefficients refer to the spherical
 > harmonics (which I also tend consider as the most probable) then the
 > integrals between the atomic orbitals (which for instance Gaussian
 > can print through IOP commands) should be complex as well. And this
 > is not the case which is why I am perplexed...
 No. Spherical harmonics in the real form are real functions, so the
 integrals over them are also real. And as I said in the previous mail,
 you don't lose anything when you go to the real form, since you still
 have the same amount of degrees of freedom within the spherical
 harmonics.
 --
 --------------------------------------------------------
 Mr. Susi Lehtola, M. Sc.          Doctoral Student
 susi.lehtola,alumni.helsinki.fi   Department of Physics
 http://www.helsinki.fi/~jzlehtol  University of Helsinki
 Office phone: +358 9 191 50 632   Finland
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 Susi Lehtola, FM                  Tohtorikoulutettava
 susi.lehtola,alumni.helsinki.fi   Fysiikan laitos
 http://www.helsinki.fi/~jzlehtol  Helsingin Yliopisto
 TyÃpuhelin: (0)9 191 50 632
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