Search

Categories

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Last 3 years

(2)

Last 12 months

(1)

Last 6 months

(1)

Last 3 months

(1)

Keywords

Wigner sampling

Authors

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

44

Downloads

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

519

Downloads