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• W1983751022 abstract "The path-integral molecular-dynamics method is employed to study the effect of temperature on a simple metal ~potassium! model system. The simple metal undergoes a phase transformation upon heating. Calculated dynamic properties indicate that the atomic motion changes from a vibrational to a diffusive character identifying the transformation as melting. Calculated structural properties further confirm the transformation. Ionic vibrations in the crystal state and the loss of long-range order during melting modify the electronic structure and in particular localize the electrons inside and at the border of the ion core. @S0163-1829~99!00117-4#" @default.
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• W1983751022 date "1999-05-01" @default.
• W1983751022 modified "2023-09-26" @default.
• W1983751022 title "Simulation of crystal and liquid potassium via restricted path-integral molecular dynamics" @default.
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• W1983751022 doi "https://doi.org/10.1103/physrevb.59.11276" @default.
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