Time-dependent density functional theory for calculating origin-independent optical rotation and rotatory strength tensors

ChemPhysChem

Volumn 12, Issue 17, 2011, Pages 3224-3235

  Autschbach, Jochen ^a  

^a UNIVERSITY AT BUFFALO   (United States)

Author keywords

circular dichroism; computational chemistry; density functional calculations; optical rotation; rotatory strength

Indexed keywords

COMPUTATION THEORY; COMPUTATIONAL CHEMISTRY; DICHROISM; ELECTRIC FIELDS; MAGNETIC FIELDS; OPTICAL ROTATION; QUANTUM CHEMISTRY; ROTATION; TENSORS;

CHIROPTICAL PROPERTIES; CIRCULAR DICHROISM SPECTRA; DYNAMIC ELECTRIC FIELDS; GAUGE-INCLUDING ATOMIC ORBITALS; ROTATORY STRENGTH; STATIC MAGNETIC FIELDS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; VIBRATIONAL STRUCTURES;

DENSITY FUNCTIONAL THEORY;

EID: 82955169713     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201100225     Document Type: Article

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