Dielectric properties and infrared spectra of liquid water: Influence of the dynamic cross correlations
作者： J Martí , E Guàrdia , JA Padró , None
DOI: 10.1063/1.467838
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摘要: Molecular dynamics simulation is applied to the study of infrared spectra associated translational, librational, and vibrational motions as well dielectric relaxation liquid water. Flexible simple point charge (SPC) potentials are used in simulations. Both calculated compared with available experimental data. The effects dynamic cross correlations analyzed by comparing results for time correlation functions collective individual properties.
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