F95 Parallel DFT Image Gallery

water dynamic polarization density tensor : zz component isosurface with frequency 0.0--0.25 a.u. water static first hyperpolarization density tensor ( second harmonic generation processes) : zzz component isosurface with 0.01 a.u. polarization density tensor of C6F6 absorbed on Cu (111) surface : zz component isosurface with 0.06 a.u. polarization density tensor of Phospate hydrolysis : zz component isosurface with 0.25 a.u. current density of diamagnetic contributions of N2 : z component isosurface with 0.01 a.u uranyl water complex with water cluser, where water molecules were modelled as point charges and some as model potentials

water dynamic polarization density tensor : yy component isosurface with frequency 0.0--0.25 a.u. water static first hyperpolarization density tensor ( second harmonic generation processes) : zyy component isosurface with 0.01 a.u. polarization density tensor of C6F6 absorbed on Cu (111) surface : yy component isosurface with 0.06 a.u. polarization density tensor of Phospate hydrolysis : yy component isosurface with 0.25 a.u. current density of paramagnetic contributions of N2 : z component isosurface with 0.01 a.u optimized structure of C6F6 absorbed on Cu (111) surface

water dynamic polarization density tensor : xx component isosurface with frequency 0.0--0.25 a.u. water static first hyperpolarization density tensor ( second harmonic generation processes) : zxx component isosurface with 0.01 a.u. polarization density tensor of C6F6 absorbed on Cu (111) surface : xx component isosurface with 0.06 a.u. polarization density tensor of Phospate hydrolysis : xx component isosurface with 0.25 a.u. magnetization density tensor of N2 : zz component isosurface with 0.01 a.u optimized structure of uranyl water complex with water cluster, where water were modelled as effective potentials.