title: A mode-coupling theory of vibrational line broadening in near-critical fluids.
abstract: We present a fully microscopic mode-coupling theory of near-critical line broadening. All the structural and dynamical input required by the theory is calculated directly from intermolecular potentials. We compute vibrational frequency time-correlation functions and line shapes as the critical point is approached along both the critical isochore and the liquid-gas coexistence curve. Theory is shown to be in good agreement with simulation.
authors.affiliation: Department of Chemistry, University of Virginia, Charlottesville, Virginia 22901, USA.
authors.forename: S A
authors.initials: SA
authors.lastname: Egorov
authors.forename: C P
authors.initials: CP
authors.lastname: Lawrence
authors.forename: J L
authors.initials: JL
authors.lastname: Skinner