Subject: forced spin population of orbitals

From: Mike Peleah <[email-masked]>
Date: Sun, 4 Nov 2001 15:26:43 +0200

Dear chemistry,

Is there any way for force spin population of orbitals in GAMESS like
it was described in the following papers for iEHM?

V.I.Hleskov.  Using  method of force spin population of d-orbitals for
elimination of oscilations during charge self-consistence procedure //
Zhurnal   Strukturnoi  Khimii.  1986.  Vol.27.  No.4.  pp.172-173  [in
Russian]

B.N.Burikin,  V.I.Hleskov, R.E.Garibov. Quantum-chemical investigation
of  particularities  of  electronic  structure  and  interpretation of
Mosbauer  spectra  parameters  of  complex  of  anylin  with  gemin //
Teoreticheskaya  i Eksperimentalnaya Khimia. 1986. No.5 pp.553-562 [in
Russian]

B.N.Burikin,   V.I.Hleskov,   R.E.Garibov.  Electronic  structure  and
parameters  of  Mosbauer spectra of m-okso-bis-tetraphenylporphyrin //
Zhurnal   Strukturnoi  Khimii.  1988.  Vol.29.  No.3.  pp.144-147  [in
Russian]

Best regards,
 Mike                          mailto:[email-masked]