Partitioning of the interaction‐induced polarizability of molecules in helium environments

2020/11/20 by Marta Chołuj, Bartosz Błasiak, Wojciech Bartkowiak · 2 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Atomic physics #Chemical physics #Chemistry #Computational chemistry #Helium #Molecular Spectroscopy and Structure #Molecular physics #Molecule #Organic chemistry #Physical chemistry #Physics #Polarizability #Polarization (electrochemistry) #Quantum, superfluid, helium dynamics

paper · doi:10.1002/qua.26544

openalex publication_date 2020/11/20 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

Abstract In this study, we analyze the correspondence between the spatial confinement represented by the real chemical environment in the form of helium clusters and by the repulsive analytical potential. In doing so, we perform a decomposition of the interaction‐induced polarizability of the LiH and HF molecules in various helium environments into electrostatic, exchange, repulsion and polarization contributions. The obtained results show that in the low and medium orbital compression region the behavior of the repulsion contribution to the interaction‐induced polarizability of LiH and HF embedded in helium environments is in line with the behavior of the total polarizability of molecules entrapped within the repulsive confining potential.

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• Toward an Understanding of the Pressure Effect on the Intramolecular Vibrational Frequencies of Sulfur Hexafluoride. [europepmc]
• Analytical Derivatives of Symmetry-Adapted Perturbation Theory Corrections for Interaction-Induced Properties. [europepmc]

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