Related papers: Finite-Size Corrections to Defect Energetics along…
We develop a method for computing exact one-loop quantum corrections to the energies of static classical backgrounds in renormalizable quantum field theories. We use a continuum density of states formalism to construct a regularized Casimir…
The present study aims at further development of covariant energy density functionals (CEDFs) towards more accurate description of binding energies across the nuclear chart. For the first time, infinite basis corrections to binding energies…
The LDA-1/2 method expands Slater's half occupation technique to infinite solid state materials by introducing a self-energy potential centered at the anions to cancel the energy associated with electron-hole self-interaction. To avoid an…
We consider SU(N) symmetric one dimensional quantum chains at finite temperature. For such systems the correlation lengths, ground state energy, and excited state energies are investigated in the framework of conformal field theory. The…
The hadron resonance gas (HRG) model and its extensions are often used to describe the hadronic phase of strongly interacting matter. In our work we use lattice-QCD simulations with temporal extents of $N_\tau=8,10$ and $12$ to quantify…
Atomic effective pseudopotentials enable atomistic calculations at the level of accuracy of density functional theory for semiconductor nanostructures with up to fifty thousand atoms. Since they are directly derived from ab-initio…
I explain the motivation for investigating the high energy limit of QCD and give a brief presentation of recent progress in the understanding of unitarity corrections in this kinematic regime. Special emphasis is given to the conformal…
Although one-loop calculations provide a realistic description of bulk and single-particle nuclear properties, it is necessary to examine loop corrections to develop a systematic finite-density power-counting scheme for the nuclear…
We consider power-like corrections in QCD which can be viewed as power surpressed infrared singularities. We argue that the presence of these singularities depends crucially on the energy resolution. In case of poor energy resolution, i.e.,…
Defect physics is at the heart of microelectronics. By keeping track of the reference energy in total energy calculations, we explicitly show that the "potential alignment" correction vanishes, and the classic Markov-Payne correction yields…
We present a method to perform fully selfconsistent density-functional calculations, which scales linearly with the system size and which is well suited for very large systems. It uses strictly localized pseudoatomic orbitals as basis…
For materials of varying band gap, we compare energy levels of atomically localized defects calculated within a semilocal and a hybrid density-functional scheme. Since the latter scheme partially relieves the band gap problem, our study…
Understanding the magnetic properties of graphenic nanostructures is instrumental in future spintronics applications. These magnetic properties are known to depend crucially on the presence of defects. Here we review our recent theoretical…
We investigate the finite size corrections to the equilibrium magnetization of an Ising model on a random graph with $N$ nodes and $N^{\gamma}$ edges, with $1 < \gamma \leq 2$. By conveniently rescaling the coupling constant, the free…
High mobility single and few-layer graphene sheets are in many ways attractive as nanoelectronic circuit hosts but lack energy gaps, which are essential to the operation of field-effect transistors. One of the methods used to create gaps in…
First-principles calculations of charged defects have become a cornerstone of research in semiconductors and insulators by providing insights into their fundamental physical properties. But current standard approach using the so-called…
We determine the finite size corrections to the large deviation function of the activity in a kinetically constrained model (the Fredrickson-Andersen model in one dimension), in the regime of dynamical phase coexistence. Numerical results…
We investigate the effects of finite size corrections on the overlap probabilities in the Generalized Random Energy Model (GREM) in two situations where replica symmetry is broken in the thermodynamic limit. Our calculations do not use…
Using atomistic quantum simulation based on a tight binding model, we investigate the formation of energy gap Eg of graphene nanomesh (GNM) lattices and the transport characteristics of GNM-based electronic devices (single potential barrier…
Application-specific integrated circuit (ASIC) implementations for Deep Neural Networks (DNNs) have been adopted in many systems because of their higher classification speed. However, although they may be characterized by better accuracy,…