Shell model in a first principles approach

First Principles Model Based Control

Model Based Control is an important and widely used (mainly MPC) technique. This paper provides a new control architecture based on the use of physical models. In this preliminary work the architecture is applied for unconstrained multivariable control. It has been applied on several standard process units obtaining encouraging results. It has some advantages over MPC as it can use non linear r...

Triaxial projected shell model approach

The projected shell model analysis is carried out using the triaxial Nilsson+BCS basis. It is demonstrated that, for an accurate description of the moments of inertia in the transitional region, it is necessary to take the triaxiality into account and perform the three-dimensional angular-momentum projection from the triaxial Nilsson+BCS intrinsic wavefunction. PACS numbers : 21.60.Cs, 21.10.Hw...

Alternative approach to separable first-principles pseudopotentials.

Evolutionary approach for determining first-principles hamiltonians.

Modern condensed-matter theory from first principles is highly successful when applied to materials of given structure-type or restricted unit-cell size. But this approach is limited where large cells or searches over millions of structure types become necessary. To treat these with first-principles accuracy, one 'coarse-grains' the many-particle Schrodinger equation into 'model hamiltonians' w...

First-principles approach to electrorotation assay

We have presented a theoretical study of electrorotation assay based on the spectral representation theory. We consider unshelled and shelled spheroidal particles as an extension to spherical ones. From the theoretical analysis, we find that the coating can change the characteristic frequency at which the maximum rotational angular velocity occurs. The shift in the characteristic frequency is a...