CCL: Oscillator strength
- From: "Anton Nizovtsev" <nanto]_[mail.ru>
- Subject: CCL: Oscillator strength
- 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