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| [[ajm/potentials/methane:aniso| Anisotropic methane potential]] Anisotropic exchange-repulsion terms on all sites. Rank 4 electrostatic model. L3 damped polarisation model. $C_{6}$ isotropic damped dispersion model. | [[ajm/potentials/methane/aniso| Anisotropic methane potential]] Anisotropic exchange-repulsion terms on all sites. Rank 4 electrostatic model. L3 damped polarisation model. $C_{6}$ isotropic damped dispersion model. |
Contents
Methane Potentials
Anisotropic methane potential Anisotropic exchange-repulsion terms on all sites. Rank 4 electrostatic model. L3 damped polarisation model. $C_{6}$ isotropic damped dispersion model.
Isotropic methane potential with scaled polarisability Isotropic exchange-repulsion terms only. Electrostatics described using charges from ISA multipole model. L1 undamped isotropic polarisation model scaled by prefactor. $C_{6}$ isotropic damped dispersion model.
Isotropic methane potential with polarisability taken from L3 dipole terms Isotropic exchange-repulsion terms only. Electrostatics described using charges from ISA multipole model. L1 undamped isotropic polarisation model. $C_{6}$ isotropic damped dispersion model.
Isotropic non-polarisable methane model Isotropic exchange-repulsion terms only. Electrostatics described using charges from ISA multipole model. $C_{6}$ isotropic damped dispersion model.