Path-integral molecular dynamics simulation of3C−SiC
نویسندگان
چکیده
منابع مشابه
Path integral molecular dynamics within the grand canonical-like adaptive resolution technique: Simulation of liquid water.
Quantum effects due to the spatial delocalization of light atoms are treated in molecular simulation via the path integral technique. Among several methods, Path Integral (PI) Molecular Dynamics (MD) is nowadays a powerful tool to investigate properties induced by spatial delocalization of atoms; however, computationally this technique is very demanding. The above mentioned limitation implies t...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2008
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.77.045210