Further application of the constrained fluid λ-integration method

Journal of Chemical Physics

Volumn 122, Issue 4, 2005, Pages

  Grochola, Gregory ^a  

^a RMIT UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

LENNARD JONES; LIQUID STATE; MELTING LINES; MELTING POINT;

CALCULATIONS; MELTING; MOLECULES; PRESSURE EFFECTS; THERMAL EFFECTS; THERMODYNAMICS;

FLUIDS;

EID: 22944434274     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1842068     Document Type: Article

References (9)

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7. cutoff=2.5σ.
8. J. R. Morris and X. Song, J. Chem. Phys. 116, 9352 (2001).
9. Maximum scaling of the intermolecular potential (at λ=0.5) can range from 0.6 to 0.9 with larger values providing almost guaranteed reversibility.