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quant-ph2020★ 11 cited
Orientational decoherence within molecules and emergence of the molecular shape
Edit Matyus, Patrick Cassam-Chenai
The question of classicality is addressed in relation with the shape of the nuclear skeleton of molecular systems. As the most natural environment, the electrons of the molecule ar…
quant-ph2018
Direct computation of the quantum partition function by path-integral nested sampling
Bela Szekeres, Livia B. Partay, Edit Matyus
In the present work we introduce a computational approach to the absolute rovibrational quantum partition function using the path-integral formalism of quantum mechanics in combina…