Subject: Calculating electronic spectra

From: [email-masked] (Mathias Brock)
Date: Tue, 14 Feb 1995 13:54:11 +0100 (NFT)

Dear netters,
 
 doing abinitio work, I decided to try and calculate electronic
 spectra. The exact solution requires time-dependent calculations.
 
 Otherwise, commercial product offer calculation of MO orbital
 energies (correlated) and excitation energies i.e. G92, HC, else.
 The size of system is about 100 basis function (monocyclic aromatics, charged)
 and should as possible provide abinitio correlation level (not EHMO, or what
 about it).
 
 Any suggestions for calculation of UV-VIS-spectra appreciated.
 
 Thanks, summary  will be returned to net ..
 
 Mathias Brock
 [email-masked]