Related papers: Effective potentials for 6-coordinated Boron: stru…
Extending the Feynman-Kleinert variational approach, we calculate the temperature-dependent effective classical potential governing the quantum statistics of a hydrogen atom in a uniform magnetic at all temperatures. The zero-temperature…
An energy functional for orbital based $O(N)$ calculations is proposed, which depends on a number of non orthogonal, localized orbitals larger than the number of occupied states in the system, and on a parameter, the electronic chemical…
The recombination rate for three identical bosons has been calculated to test the limits of its universal behavior. It has been obtained for several different collision energies and scattering lengths (a) up to 10^5 a.u., giving rates that…
In this thesis a new model for calculating the total energy of atomic and solid systems is presented. The model is used to study the properties of the Si(100) surface and dislocation dynamics in the diamond structure. For the Si(100)…
Probing the properties of the discovered Higgs boson may tell us whether or not it is the same particle as the one predicted by the Standard Model. To this aim we parametrize deviations of the Higgs couplings to matter from the Standard…
Quantum-mechanical analysis based on an exact sum rule is used to extract an semiclassical angle-dependent energy function for transition metal ions in biomolecules. The angular dependence is simple but different from existing classical…
The energy landscape of carbon is exceedingly complex, hosting diverse and important metastable phases, including diamond, fullerenes, nanotubes and graphene. Searching for structures, especially those with large unit cells, in this…
We calculate the renormalized effective 2-, 3-, and 4-body interactions for N neutral ultracold bosons in the ground state of an isotropic harmonic trap, assuming 2-body interactions modeled with the combination of a zero-range and…
We have performed Linearized Augmented Plane Wave (LAPW) calculations for five crystal structures (alpha, dhcp, sc, fcc, bcc) of Boron which we then fitted to a non-orthogonal tight-binding model following the Naval Research Laboratory…
Knowledge of the repulsive behavior of potential energy curves $V(R)$ at $R\to0$ is necessary for understanding and modeling irradiation processes of practical interest. $V(R)$ is in principle straightforward to obtain from electronic…
The energy-energy correlator (EEC) is an observable of wide interest for collider physics and Standard Model measurements, due to both its simple theoretical description in terms of the energy-momentum tensor and its novel features for…
The total energies of a large number of diatomic (or two-center) one-electron $A^{+} B^{+} e^{-}$ ions with unit electrical charges are determined numerically to high accuracy. Based on these results we derive some accurate…
A one-electron Schroedinger equation based on special one-electron potentials for atoms is shown to exist that produces orbitals for an arbitrary molecule that are sufficiently accurate to be used without modification to construct single-…
The standard perturbative effective potential suffers from two related problems of principle involving the field-dependent Goldstone boson squared mass, G. First, in general G can be negative, and it actually is negative in the Standard…
We have constructed the leading order strangeness S=-1,-2 baryon-baryon potential in a chiral effective field theory approach. The chiral potential consists of one-pseudoscalar-meson exchanges and non-derivative four-baryon contact terms.…
The vacuum polarization energy is the leading quantum correction to the classical energy of a soliton. We study this energy for two-component solitons in one space dimension as a function of the soliton's topological charge. We find that…
Relativistic Hartree-Fock and random phase approximation methods for open shells are used to calculate ionization potentials and static scalar polarizabilities of eight superheavy elements with open $6d$-shell, which include Db, Sg, Bh, Hs,…
The one-loop effective potential in $2D$ dilaton gravity in conformal gauge on the topologically non-trivial plane $\reals \times S^1$ and on the hyperbolic plane $H^2/\Gamma$ is calculated. For arbitrary choice of the tree scalar potential…
Properties of the energy-momentum relation for the Fr\"ohlich polaron are of continuing interest, especially for large values of the coupling constant. By combining spectral theory with the available results on the central limit theorem for…
Polaron binding energy and effective mass are calculated for semiconductors with wurtzite crystalline structure from the first order electron-phonon corrections to the self-energy. A recently introduced Frohlich-like electron-phonon…