Local-scaling density functional theory equations

Eulerian equations for the dispersed phase may be derived by several means. A popular and simple way consists in volume filtering of the separate, local, instantaneous phase equations accounting for the inter-facial jump conditions [274]. Such an averaging approach may be restrictive, because particle sizes and particle distances have to be smaller than the smallest length scale of the turbulence. Besides, it does not account for the Random Uncorrelated Motion (RUM), which measures the deviation of particle velocities compared to the local mean velocity of the dispersed phase [280] (see section 10.1). In the present study, a statistical approach analogous to kinetic theory [265] is used to construct a probability density function (pdf) fp cp,Cp, which gives the local instantaneous probable num-... 

The above demonstrated possibility of obtaining numerical virtual orbitals indicate that the FD HF method can also be used as a solver of the Schrodinger equation for a one-electron diatomic system with an arbitrary potential. Thus, the scheme could be of interest to those who try to construct exchange-correlation potential functions or deal with local-scaling transformations within the functional density theory (32,33). 

---