I would be very grateful if you could let me know of possible capabilities in
quantum espresso to compute chiroptical properties of periodic systems
The literature seems to indicate:
- Prof Agnes Szabados' group has done some implementation of raman optical activity?
- the existence of a package called QEdark which probably has to do with axion electrodynamics?
- probably the axion electrodynamics framework by David Vanderbilt (for orbital magnetism)?
regards
Dr Manuel Pérez Jigato, Research and Technolgy Associate
Luxembourg Institute of Science and Technology (LIST)
Materials Research and Technology (MRT)
41 rue du Brill
L-4422 BELVAUX
Grand-Duché de Luxembourg
Tel (+352) 275 888 - 581
e-mail [email protected]
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