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Journal of Chemical Physics

Volumn 116, Issue 16, 2002, Pages 6941-6947

A Hamiltonian electrostatic coupling scheme for hybrid Car-Parrinello molecular dynamics simulations

(3) Laio, Alessandro a VandeVondele, Joost a Rothlisberger, Ursula a

a LABORATORY OF INORGANIC CHEMISTRY (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CARRIER CONCENTRATION; COMPUTER SIMULATION; ELECTROSTATICS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; TEMPERATURE; VAN DER WAALS FORCES; WATER;

CAR-PARRINELLO METHOD; CLASSICAL POINT CHARGES; ELECTROSTATIC EFFECTS; HIERARCHICAL MULTIPLE METHOD; QUANTUM CHARGE DISTRIBUTION;

HAMILTONIANS;

EID: 0037156101 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1462041 Document Type: Article

Times cited : (590)

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