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physics.chem-ph2024
Range separation of the interaction potential in intermolecular and intramolecular symmetry-adapted perturbation theory
Du Luu, Clemence Corminboeuf, Konrad Patkowski
Symmetry-adapted perturbation theory (SAPT) is a popular and versatile tool to compute and decompose noncovalent interaction energies between molecules. The intramolecular SAPT (IS…
astro-ph.EP2024★ 10 cited
Accurate reference spectra of HD in H/He bath for planetary applications
H. Jóźwiak, N. Stolarczyk, K. Stankiewicz +9
The hydrogen deuteride (HD) molecule is an important deuterium tracer in astrophysical studies. The atmospheres of gas giants are dominated by molecular hydrogen, and simultaneous…