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Rare-gas solids under pressure: A path-integral Monte Carlo simulation
Carlos P. Herrero, Rafael Ramirez
Rare-gas solids (Ne, Ar, Kr, and Xe) under hydrostatic pressure up to 30 kbar have been studied by path-integral Monte Carlo simulations in the isothermal-isobaric ensemble. Result…
Hydrogen and muonium in diamond: A path-integral molecular dynamics simulation
Carlos P. Herrero, Rafael Ramirez, Eduardo R. Hernandez
Isolated hydrogen, deuterium, and muonium in diamond have been studied by path-integral molecular dynamics simulations in the canonical ensemble. Finite-temperature properties of t…
A path-integral molecular dynamics simulation of diamond
Rafael Ramirez, Carlos P. Herrero, Eduardo R. Hernandez
Diamond is studied by path integral molecular dynamics simulations of the atomic nuclei in combination with a tight-binding Hamiltonian to describe its electronic structure and tot…