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The parameterization, called XPHF, is built upon the same formalism introduced for the XP3P model of liquid water, which is based on the polarized molecular orbital (PMO) semiempirical quantum chemistry method and the dipole-preserving polarization consistent point charge model. We introduce a fluorine parameter set for PMO, and find good agreement for various gas-phase results of small HF clusters compared to experiments and ab initio calculations at the M06-2X\/MG3S level of theory. In addition, the XPHF model shows reasonable agreement with experiments for a variety of structural and thermodynamic properties in the liquid state, including radial distribution functions, interaction energies, diffusion coefficients, and densities at various state points.<\/jats:p>","DOI":"10.1063\/1.4875922","type":"journal-article","created":{"date-parts":[[2014,5,23]],"date-time":"2014-05-23T00:30:31Z","timestamp":1400805031000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":11,"title":["Quantum mechanical force field for hydrogen fluoride with explicit electronic polarization"],"prefix":"10.1063","volume":"140","author":[{"given":"Michael J. 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