From owner-chemistry@ccl.net Tue Mar 30 04:08:01 2010 From: "Anton Nizovtsev nanto#,#mail.ru" To: CCL Subject: CCL: Oscillator strength Message-Id: <-41547-100329064658-6106-70BBs2rRWWfr8XfrM1JYMw[-]server.ccl.net> X-Original-From: "Anton Nizovtsev" 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