Re: EH program with addtl. features

[haedener # - at - # iacrs1.unibe.ch (Konrad Haedener)]

 Our group is maintaining an EHMO program called ICONC (based on QCPE #344).
 It has the following of the required features:
 o  Allows for transition metals
 o  Models repulsive interactions between the cores
 o  Optimizes geometries (minimization by variation of selected int. coords.)
 Extensions are documented in J. Phys. Chem. 93 (1989) 5366 (part I: diatomics
 and simple polyatomics) and in the forthcoming part II: large polyatomics.
 The program is available for MS-DOS, OS/2, VMS and AIX (RS/6000) at no charge.
 Please direct requests to Prof. Gion Calzaferri (calzaferri # - at - #
 iac.unibe.ch).
 --
 Konrad Haedener                             Phone: +41 31 65 42 25
 Institute for Physical Chemistry            FAX:   +41 31 65 44 99
 University of Berne
 Switzerland                                 haedener # - at - # iac.unibe.ch