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Long-range dispersion C6 coefficient for SF6 dimer: Experimental and theoretical study
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DOI：10.1063/1.5049891.png)
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Abstract
En 中文
The long-range dispersion C-6 coefficient for the SF6 dimer is experimentally measured using a technique that uses the expansion of a supersonic pulse jet into a vacuum. A dynamic model of the jet enables us to correlate the position of the maximal peak in the time-of-flight spectrum with the initial conditions of the experiment and the parameters of the intermolecular interaction potential. Due to the low temperature of the jet target, the C-6 coefficient can be extracted directly from the experimental results. Theoretical calculation of the C-6 dispersion coefficient is also performed by using linearly approximated explicitly correlated coupled-cluster singles and doubles (CCSD(F12)) method with the subsequent utilization of the Casimir-Polder formula. Good agreement of experimental and theoretical results confirms the reliability of results. Published by AIP Publishing.
Keywords:
CORRELATED MOLECULAR CALCULATIONS
SUPERSONIC PULSED JET
GAUSSIAN-BASIS SETS
NUMERICAL QUADRATURES
SULFUR-HEXAFLUORIDE
KINETIC DESCRIPTION
EXPANSION
VACUUM
BORON
NEON
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