Calculation of the reaction field due to off-center point multipoles
Kong Y, Ponder J. Calculation of the reaction field due to off-center point multipoles. The Journal Of Chemical Physics 1997, 107: 481-492. DOI: 10.1063/1.474409.Peer-Reviewed Original ResearchPoint multipolesOriginal theoryArbitrary charge distributionHigher derivativesMultipole methodExplicit formulaCartesian derivativesStraightforward extensionReaction field energiesCalculation timeField energyField effectsGeneral methodComputationEnergy functionPotential energy functionInduced dipole momentReaction field effectsSpherical cavityMultipolesEnergy termsReaction fieldMultipole interactionsHeterogeneous systemsCalculations