<> [[AJMPublic/potentials|Main Potentials page]] = Pyridine = Here are links to some recent many-body potentials for pyridine. {{{#!wiki warning Warning These input files were created for Orient 4.8. They will not run in later versions of Orient. If there is a need we will make the necessary changes to allow this. }}} == References == For details see: * [[http://arxiv.org/abs/1512.06150| Ab initio atom-atom potentials using CamCASP: Theory]], A. J. Misquitta & A. J. Stone (2016) * [[http://arxiv.org/abs/1512.06155| Ab initio atom-atom potentials using CamCASP: Application to pyridine]], A. J. Misquitta & A. J. Stone (2016) == Potentials == * [[AJMPublic/potentials/pyridine-model1|Pyridine: Model(1)]] : Isotropic except for electrostatic model. Many-body effects through L1,isotropic damped polarization model. Damped $C_6$ isotropic dispersion model. * [[AJMPublic/potentials/pyridine-model2|Pyridine: Model(2)]] : Single anisotropic term on nitrogen atom. Rank 4 electrostatic model. Many-body effects through anisotropic L1 polarization model. Damped $C_{12}$ isotropic dispersion model. * [[AJMPublic/potentials/pyridine-model3|Pyridine: Model(3)]] : Anisotropy included on all sites. Rank 4 electrostatic model. Many-body effects through L2 anisotropic, damped polarization model. Damped $C_{12}$ isotropic dispersion model.