Open AccessDerivation and implementation of the optical rotation tensor for chiral crystals
Author(s) -
Ty Balduf,
Marco Caricato
Publication year - 2022
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0130385
Subject(s) - tensor (intrinsic definition) , density functional theory , polarizability , dipole , correctness , quadrupole , optical rotation , basis set , physics , intermolecular force , computational chemistry , theoretical physics , quantum mechanics , mathematics , molecule , chemistry , geometry , algorithm , optics