Related papers: Extending Linear Response: Inferences from Electro…
Response theory provides a pathway for understanding the sensitivity of a system and for predicting how its statistical properties change when a perturbation is applied. In the case of complex and multiscale systems, to achieve enhanced…
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…
We perform molecular dynamics simulations of ionic liquids confined between graphene walls under a large variety of conditions (pure ionic liquids, mixtures with water and alcohols, mixtures with lithium salts and defective graphene walls).…
We propose a simple linear scaling expression in reciprocal space for evaluating the ion--electron potential of crystalline solids. The expression replaces the long-range ion--electron potential with an equivalent localized charge…
The electrostatic interaction in ionic fluids is well-known to give rise to a characteristic phase behavior and structure. Sometimes its long range is proposed to single out the electrostatic potential over other interactions with shorter…
Effective interactions can be obtained from a renormalization group analysis in two complementary ways. One can either explicitly integrate out higher energy modes or impose given conditions at low energies for a cut-off theory. While the…
Linear response theory serves as a fundamental tool in the study of quantum transport, extensively employed to elucidate fundamental mechanisms related to the nature of the particles involved and the underlying symmetries. This framework…
A theory is constructed for dense ionic solutions near charged planar walls that is valid for strong inter-ionic correlations. This theory predicts a fluctuation-induced, first-order transition and spontaneous charge density ordering at the…
The impedance matching in metamaterial perfect absorbers has been believed to involve and rely on magnetic resonant response, with a direct evidence from the anti-parallel directions of surface currents in the metal structures. Here we…
Electron correlation effects are essential for an accurate ab initio description of molecules. A quantitative a priori knowledge of the single- or multi-reference nature of electronic structures as well as of the dominant contributions to…
We establish a novel approach to probing spatially resolved multi-time correlation functions of interacting many-body systems, with scalable experimental overhead. Specifically, designing nonlinear measurement protocols for multidimensional…
Since the 1950s, soft ionic devices have evolved from individual components to an expanding library of sensors, actuators, signal transmitters, and processors. However, integrating these components into complex, multi-functional systems…
Infrared spectroscopy has emerged as a premier experimental technique to probe enigmatic effects arising from strong correlations in solids. Here we report on recent advances in this area focusing on common patterns in correlated electron…
We apply a rigorous eigenmode analysis to study the electromagnetic properties of linear and weakly nonlinear metamaterials. The nonlinear response can be totally described by the linear eigenmodes when weak nonlinearities are attributed to…
Structural and thermodynamic properties of ionic fluids are related to those of a simpler ``mimic'' system with short ranged intermolecular interactions in a spatially varying effective field by use of Local Molecular Field (LMF) theory,…
The charge and magnetic form factors of light nuclei, mainly for mass numbers A<=4, provide a sensitive test of our understanding of nuclei. A number of "exact" calculations of the wave functions starting from the nucleon-nucleon…
An accurate description of electron-ion interactions in materials is crucial for our understanding of their equilibrium and non-equilibrium properties. Here, we assess the properties of frictional forces experienced by ions in…
We present a method to determine the equilibrium geometry of large atomistic systems with linear scaling. It is based on a separate treatment of long and short wavelength components of the forces. While the rapidly varying part is handled…
Trapped ions are among the leading candidates for quantum computing technologies. Interfacing ion qubits in separate traps and interfacing ion qubits with superconducting qubits are two of the many challenges to scale up quantum computers.…
Impressive progress in the control of atomically thin crystals is now enabling the realization of gated structures in which two electrodes are separated by atomic scale distances. The electrical capacitance of these structures is determined…