Gauge-origin-independent coupled cluster singles and doubles calculation of magnetic circular dichroism of azabenzenes and phosphabenzene using London orbitals

Authors
Michl, Josef
Kjaergaard, Thomas
Jansik, Branislav
Jorgensen, Poul
Coriani, Sonia

Journal: Journal of Physical Chemistry A

Year: 2007

Volume: 111

Issue: 44

Pages: 11278 - 11286

DOI: 10.1021/jp071726l