Related papers: Least action principle for envelope functions in a…
A conceptually appealing and computationally economical course-grained molecular-orbital (MO) theory for extended quasi-linear molecular heterostructures is presented. The formalism, which is based on a straightforward adaptation, by…
The fabrication of novel soft materials is an important scientific and technological challenge. We investigate the response of magnetic ellipsoidal particles adsorbed at fluid-fluid interfaces to external magnetic fields. By exploiting…
We introduce a simple approach how an electromagnetic environment can be efficiently embedded into state-of-the-art electronic structure methods, taking the form of radiation-reaction forces. We demonstrate that this self-consistently…
We develop several configuration interaction approaches for characterizing the electronic structure of an adsorbate on a metal surface (at least in model form). When one can separate adsorbate from substrate, these methods can achieve a…
This paper delves into a nonparametric estimation approach for the interaction function within diffusion-type particle system models. We introduce two estimation methods based upon an empirical risk minimization. Our study encompasses an…
Controlling interfacial interactions in magnetic/topological insulator heterostructures is a major challenge for the emergence of novel spin-dependent electronic phenomena. As for any rational design of heterostructures that rely on…
We investigate the electrostatic interactions between two charged anisotropic conductors using a combination of asymptotic and numerical methods. For widely separated particles, we employ the method of reflections to analyze the…
The occurrence of superconducting and insulating phases is well-established in twisted graphene bilayers, and they have also been reported in other arrangements of graphene layers. We investigate three such arrangements: untwisted AB…
The eigenfunctions of the Laplace Beltrami operator (Manifold Harmonics) define a function basis that can be used in spectral analysis on manifolds. In [21] the authors recast the problem as an orthogonality constrained optimization problem…
We construct a low-energy effective field theory that permits the complete treatment of isospin-breaking effects in nonleptonic weak interactions to next-to-leading order. To this end, we enlarge the chiral Lagrangian describing strong and…
This paper is a continuation of our study of the dynamics of contact Hamiltonian systems in \cite{JY}, but without monotonicity assumption. Due to the complexity of general cases, we focus on the behavior of action minimizing orbits. We…
Heterostructures made of transition metal oxides are new tailor-made materials which are attracting much attention. We have constructed a 6-band k.p Hamiltonian and used it within the envelope function method to calculate the subband…
Generally, natural scientific problems are so complicated that one has to establish some effective perturbation or nonperturbation theories with respect to some associated ideal models. In this Letter, a new theory that combines…
Measuring the mechanical response of liquid interfaces without direct contact remains a major experimental challenge, particularly in liquid-liquid systems where no solid reference exists. Here, we develop a frequency-modulation atomic…
We develop the multi-scale ab-initio scheme for correlated electrons (MACE) for transitionmetal-oxide heterostructures, and determine the parameters of the low-energy effective model. By separating Ti t2g bands near the Fermi level from the…
I review recent work on magnetic dynamics of the high temperature superconductors using a model that combines two weakly interacting species of low-energy excitations: the antiferromagnetic spin waves which carry spin-1 and no charge, and…
Metasurfaces are arrays of subwavelength meta-atoms that shape waves in a compact and planar form factor. Analysis and design of metasurfaces require methods for modeling their interactions with waves. Conventional modeling techniques…
The antisymmetrized geminal power (AGP) wave function has a long history and considerable conceptual appeal, but in many situations its accuracy is wanting. Here, we consider a form of configuration interaction (CI) based upon the AGP wave…
In oxide heterostructures, different materials are integrated into a single artificial crystal, resulting in a breaking of inversion-symmetry across the heterointerfaces. A notable example is the interface between polar and non-polar…
We discuss different approximations for effective low-energy interactions in multi-band models for weakly correlated electrons. In the study of Fermi surface instabilities of the conduction band(s), the standard approximation consists only…