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Theoretical and Computational Chemistry

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gauge invariance

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2 results in Keywords: gauge invariance

Theoretical and Computational Chemistry

Origin Invariant Full Optical Rotation Tensor in the Length Dipole Gauge without London Atomic Orbitals

Version 1 posted 08 April 2021

215

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Theoretical and Computational Chemistry

Basis Set Dependence of Optical Rotation Calculations with Different Choices of Gauge

Taylor Parsons, Ty Balduf, James Cheeseman, Marco Caricato

Version 1 posted 04 March 2022

315

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