Mátyus Edit, Cassam-Chenaï Patrick
Institute of Chemistry, Eötvös Loránd University, Pázmány Péter sétány 1/A, 1117 Budapest, Hungary.
Université Côte d'Azur, CNRS, LJAD, UMR 7351, 06100 Nice, France.
J Chem Phys. 2021 Jan 14;154(2):024114. doi: 10.1063/5.0036568.
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 are considered as continuously monitoring agents for the nuclei. For this picture, an elementary formalism of decoherence theory is developed and numerical results are presented for few-particle systems. The numerical examples suggest that the electron-nucleus Coulomb interaction is sufficient for inducing a blurred shape with strong quantum coherences in compounds of the lightest elements, H, D, T, and HeH.
关于分子系统核骨架形状的问题，探讨了经典性问题。作为最自然的环境，分子中的电子被视为原子核的连续监测剂。针对这种情况，发展了退相干理论的基本形式，并给出了少粒子系统的数值结果。数值示例表明，在最轻元素H、D、T和HeH的化合物中，电子-核库仑相互作用足以诱导出具有强量子相干性的模糊形状。
