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Long-range interactions and polarization

M Jorge, Theoretically grounded approaches to account for polarization effects in fixed-charge force fields, JCP 161, 180901 (2024) – doi

S Cardamone, T J Hughes, P L A Popelier, Multipolar electrostatics, PCCP 16, 10367 (2014)

S W Rick, S J Stuart, Potentials and Algorithms for Incorporating Polarizability in Computer Simulations, Rev Comp Chem 18, 89 (2002)


P McCullagh, P Lake, M McCullagh, Deriving Coarse-Grained Charges from All-Atom Systems: An Analytic Solution, JCTC 12, 4390 (2016) – doi

P van Duijnen, Marcel Swart, Molecular and Atomic Polarizabilities: Thole's Model Revisited, JPCA 102, 2399 (1998)