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Journal of Chemical Physics

Volumn 134, Issue 8, 2011, Pages

Accelerating the convergence of path integral dynamics with a generalized Langevin equation

(3) Ceriotti, Michele a Manolopoulos, David E b Parrinello, Michele a

a ETH ZURICH (Switzerland)

b UNIVERSITY OF OXFORD (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC SYSTEMS; CLASSICAL MOLECULAR DYNAMICS; COMPUTATIONAL OVERHEADS; GENERALIZED LANGEVIN EQUATION; LIGHT ATOMS; LIQUID WATER; PATH INTEGRAL; QUANTUM MECHANICAL; QUANTUM NATURE; ZERO-POINT ENERGIES;

DIFFERENTIAL EQUATIONS; QUANTUM THEORY;

MOLECULAR DYNAMICS;

WATER;

ARTICLE; CHEMISTRY; MOLECULAR DYNAMICS; QUANTUM THEORY;

MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY; WATER;

EID: 79952078721 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3556661 Document Type: Article

Times cited : (186)

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