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- W2085502154 abstract "We develop a novel first-principle molecular dynamics method based on the discretized path integral formalism of quantum mechanics. This method which includes quantum exchange is used to simulate the behavior of liquid potassium at high temperature. We compute the energy as well as the electronic and atomic structural properties of the liquid metal. These results compare favorably with previous calculations and experimental results." @default.
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- W2085502154 title "Electronic and atomic structure of liquid potassium via path integral molecular dynamics with non-local quantum exchange" @default.
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- W2085502154 doi "https://doi.org/10.1088/0965-0393/4/2/002" @default.
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