Related papers: Local minimum in effective pairpotentials: Pseudop…
Electrons coupled to local lattice deformations end up in selftrapped localized molecular states involving their binding into bipolarons when the coupling is stronger than a certain critical value. Below that value they exist as essentially…
A unified view on the phenomenon of monogamy exhibited by Bell inequalities and non-contextuality inequalities arising from the no-signaling and no-disturbance principles is presented using the graph-theoretic method introduced in…
We generate a series of pseudopotentials to examine the relationship between pseudoatomic properties and solid-state results. We find that lattice constants and bulk moduli are quite sensitive to eigenvalue, total-energy difference and tail…
The local theory for regular and multi-regular systems was developed in the assumption that these systems are Delone sets, or (r;R)-systems. The requirement for a set to be a (r;R)-system particularly implies that any two points in a Delone…
In the present paper we develop the theory of minimization for energies with multivariate kernels, i.e. energies, in which pairwise interactions are replaced by interactions between triples or, more generally, $n$-tuples of particles. Such…
We consider a nonlocal isoperimetric problem defined in the whole space $\R^N$, whose nonlocal part is given by a Riesz potential with exponent $\alpha\in(0, N-1)$. We show that critical configurations with positive second variation are…
The purpose of this paper is to obtain microlocal analogues of results by L. H \"ormander about inclusion relations between the ranges of first order differential operators with coefficients in $C^\infty$ which fail to be locally solvable.…
Recently the Local Friendliness (LF) no-go theorem has gained a lot of attention, owing to its deep foundational implications. This no-go theorem applies to scenarios which combine Bell experiments with Wigner's friend-type set ups,…
Sub-wavelength electromagnetic field localization has been central in photonic research in the last decade, allowing to enhance sensing capabilities as well as increasing the coupling between photons and material excitations. The…
Elemental Pr metal crystallizes in the double hexagonal close packed (dhcp) structure and is unique among rare-earth elements in featuring a localized partially filled 4f shell without ordered magnetism. Experimental evidence attributes…
The formation of polarons is a pervasive phenomenon in transition metal oxide compounds, with a strong impact on the physical properties and functionalities of the hosting materials. In its original formulation the polaron problem considers…
A new diagrammatic technique is developed to describe nonlocal effects (e.g., pseudogap formation) in the Hubbard-like models. In contrast to cluster approaches, this method utilizes an exact transition to the dual set of variables, and it…
Using a scenario of a hybridized mixture of localized bipolarons and conduction electrons, we demonstrate for the latter the simultaneous appearance of a pseudogap and of strong incoherent contributions to their quasi-particle spectrum…
Local positional disorder in soft, anharmonic materials has emerged as a central factor in shaping their electronic, vibrational, optical, and transport properties. Viewed mainly as a source of performance degradation, recent theoretical…
Let $I$ be a monomial ideal in a polynomial ring $A=K[x_1,...,x_n]$. We call a monomial ideal $J$ to be a minimal monomial reduction ideal of $I$ if there exists no proper monomial ideal $L \subset J$ such that $L$ is a reduction ideal of…
In this paper we study local cohomology of finitely generated bigraded modules over a standard bigraded ring with respect to the irrelevant bigraded ideals and establish a duality theorem. Several applications are considered.
The understanding of the origin of dark matter has great importance for cosmology and particle physics. Several interesting extensions of the standard model dealing with solution of this problem motivate the concept of hidden sectors…
We propose a nonlocal theory of single-particle excitations. It is based on an off-diagonal effective medium and the projection operator method for treating the retarded Green function. The theory determines the nonlocal effective medium…
Machine learning (ML) has become a commonplace approach in the development of interatomic potentials for molecular dynamics simulations, and its use also for radiation effect modelling is increasing. In this work, we investigate the effects…
The package fhi98PP allows one to generate norm-conserving pseudopotentials adapted to density-functional theory total-energy calculations for a multitude of elements throughout the periodic table, including first-row and transition metal…