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← Revision 9 as of 2021-04-14 13:02:20 ⇥
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| [[ajm/potentials/start|Back to main Potentials page]] | [[AJMPublic/potentials|Back to main Potentials page]] |
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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. | [[AJMPublic/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. |
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| [[ajm/potentials/methane/scaledpol|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. | [[AJMPublic/potentials/methane/scaledpol|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. |
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| [[ajm/potentials/methane/nonscaledpol|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. | [[AJMPublic/potentials/methane/nonscaledpol|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. |
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| [[ajm/potentials/methane/nonpol|Isotropic non-polarisable methane model]] | [[AJMPublic/potentials/methane/nonpol|Isotropic non-polarisable methane 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.