Electronically coarse-grained molecular dynamics using quantum Drude oscillators

Author： Jones A.P.   Crain J.   Cipcigan F.S.   Sokhan V.P.   Modani M.   Martyna G.J.  

Publisher： Taylor & Francis Ltd

ISSN： 1362-3028

Source： Molecular Physics, Vol.111, Iss.22-23, 2013-12, pp. : 3465-3477

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