|
Size: 1230
Comment:
|
← Revision 9 as of 2021-04-14 13:02:20 ⇥
Size: 1197
Comment:
|
| Deletions are marked like this. | Additions are marked like this. |
| Line 1: | Line 1: |
| #acl +All:read apw185:read,write,delete Known:read All: | |
| Line 9: | Line 8: |
| [[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. |
| Line 12: | Line 11: |
| [[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. |
| Line 15: | Line 14: |
| [[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. |
| Line 17: | Line 16: |
| [[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.