From owner-chemistry {*at*} ccl.net Tue Mar 30 04:08:01 2010
From: "Anton Nizovtsev nanto#,#mail.ru" <owner-chemistry[-]server.ccl.net>
To: CCL
Subject: CCL: Oscillator strength
Message-Id: <-41547-100329064658-6106-70BBs2rRWWfr8XfrM1JYMw[-]server.ccl.net>
X-Original-From: "Anton  Nizovtsev" <nanto]_[mail.ru>
Date: Mon, 29 Mar 2010 06:46:57 -0400


Sent to CCL by: "Anton  Nizovtsev" [nanto^-^mail.ru]

Suppose there are two molecules in its singlet ground states separated at several angstroms (5, for example). I want to calculate excitation energy and oscillator strength for transition between ground state of such complex and excited state corresponding simultaneous S0-T1 transitions of each molecular fragment. Is it possible to perform? Which methods are suitable for this problem in quantum chemical programs?

Thanks in advance
Anton

nanto_+_mail.ru