Approximation of occupation time functionals

Dependence of Response Functions and Orbital Functionals on Occupation Numbers.

Explicitly orbital-dependent approximations to the exchange-correlation energy functional of density functional theory typically not only depend on the single-particle Kohn-Sham orbitals but also on their occupation numbers in the ground-state Slater determinant. The variational calculation of the corresponding exchange-correlation potentials with the optimized effective potential (OEP) method ...

Approximation of Non-convex Functionals in Gbv Approximation of Non-convex Functionals in Gbv

Variational Approximation of Functionals withCurvatures and Related

We consider the problem of approximating via ?-convergence a class of functionals depending on curvatures of smooth compact boundaries. We investigate the connections between the approximation problem and the lower semicontinuous envelope of the original functional. We provide some examples of lower semicontinuous functionals and their variational approximation.

Compound Poisson Approximation via Information Functionals

An information-theoretic development is given for the problem of compound Poisson approximation, which parallels earlier treatments for Gaussian and Poisson approximation. Nonasymptotic bounds are derived for the distance between the distribution of a sum of independent integervalued random variables and an appropriately chosen compound Poisson law. In the case where all summands have the same ...

Making Use of Self-Energy Functionals: The Variational Cluster Approximation

2 The cluster approach 4 2.1 Tiling the lattice into small clusters . . . . . . . . . . . . . . . . . . . . . . . . 4 2.2 Cluster perturbation theory . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 2.3 Green’s function and exact diagonalization . . . . . . . . . . . . . . . . . . . . 5 2.4 Freedom in the CPT construction . . . . . . . . . . . . . . . . . . . . . . . . . 6 2.5 The Ritz...