Variational response-function formulation of vibrational circular dichroism
Abstract
The atomic axial tensor (AAT) of
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* Corresponding authors
a
Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste, Via L. Giorgieri 1, I-34127 Trieste, Italy
E-mail:
coriani@units.it
Fax: +39 040 5583903
Tel: +39 040 5583947
b Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C, Denmark
c Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P. O. Box 1033 Blindern, N-0315 Oslo, Norway
d Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø, N-9037 Troms, Norway
e Lundbeck Foundation Center for Theoretical Chemistry, Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C, Denmark
The atomic axial tensor (AAT) of
S. Coriani, A. J. Thorvaldsen, K. Kristensen and P. Jørgensen, Phys. Chem. Chem. Phys., 2011, 13, 4224 DOI: 10.1039/C0CP02230F
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