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Wigner sampling

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2 results in Keywords: Wigner sampling

Theoretical and Computational Chemistry

The temperature dependence of Mössbauer quadrupole splitting values: a quantum chemical analysis

Niklas von Rhein, Vera Krewald

Version 1 posted 26 September 2024

91

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Theoretical and Computational Chemistry

Describing nuclear quantum effects in vibrational properties using molecular dynamics with Wigner sampling

Denis Tikhonov, Yury Vishnevskiy

Version 2 posted 14 June 2023

548

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