Optimization of the explicit polarization (X-Pol) potential using a hybrid density functional

Παρόμοια τεκμήρια

• Explicit Polarization (X-Pol) Potential Using ab Initio Molecular Orbital Theory and Density Functional Theory
  ανά: Song, Lingchun, κ.ά.
  Έκδοση: (2009)
• Using multipole point charge distributions to provide the electrostatic potential in the variational explicit polarization (X-Pol) potential
  ανά: Leverentz, Hannah R., κ.ά.
  Έκδοση: (2011)
• Incorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory
  ανά: Isegawa, Miho, κ.ά.
  Έκδοση: (2011)
• Quantum mechanical force field for water with explicit electronic polarization
  ανά: Han, Jaebeom, κ.ά.
  Έκδοση: (2013)
• The variational explicit polarization potential and analytical first derivative of energy: Towards a next generation force field
  ανά: Xie, Wangshen, κ.ά.
  Έκδοση: (2008)