Path integral molecular dynamics at zero thermal temperature
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DOI: 10.1016/j.cplett.2017.02.038
Abstract: Abstract Path integral molecular dynamics (PIMD) simulations at the zero thermal temperature still remain inconceivable. Herein, the quantum-mechanical partition function is revised in conjunction with the time-independent Schrodinger equation. The imaginary temperature for the quantum–mechanical… read more here.
Keywords: zero thermal; temperature; thermal temperature; molecular dynamics ... See more keywords