The TB-LMTO method and its relation to the screened KKR method

The main formal aspects of the TB-LMTO and the screened KKR method are reviewed in terms of multiple scattering theory (scattered wave method) as based on a general reference medium. In terms of the corresponding Green's functions, a comparison is made between these two approaches listing similarities and differences and advantages and disadvantages. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 63: 165–188, 1997     

An efficient multigrid-FEM method for the simulation of solid–liquid two phase flows

An efficient multigrid-FEM method for the detailed simulation of solid–liquid two phase flows with large number of moving particles is presented. An explicit fictitious boundary method based on a FEM background grid which covers the whole computational domain and can be chosen independently from the particles of arbitrary shape, size and number is used to deal with the interactions between the fluid and the particles. Since the presented method treats the fluid part, the calculation of forces and the movement of particles in a subsequent manner, it is potentially powerful to efficiently simulate real particulate flows with huge number of particles. The presented method is first validated using a series of simple test cases, and then as an illustration, simulations of three big disks plunging into 2000 small particles, and of sedimentation of 10,000 particles in a cavity are presented.