Related papers: NMR shieldings from density functional perturbatio…
We analyze the properties of a nonlinear metamaterial formed by integrating nonlinear components or materials into the capacitive regions of metamaterial elements. A straightforward homogenization procedure leads to general expressions for…
The three-dimensional galaxy power spectrum is a powerful probe of primordial non-Gaussianity and additional general relativistic (GR) effects on large scales, which can be constrained by the current and upcoming large-scale structure…
We present an implementation of coupled-perturbed complete active space self-consistent field (CP-CASSCF) theory for the computation of nuclear magnetic resonance chemical shifts using gauge-including atomic orbitals and Cholesky decomposed…
Efficiently and accurately computing molecular Auger electron spectra for larger systems is limited by the increasing complexity of the scaling in the number of doubly ionized final states with respect to the system size. In this work, we…
Multi-layered structures are widely used in the construction of metamaterial devices to realize various cutting-edge waveguide applications. This paper makes several contributions to the mathematical analysis of subwavelength resonances in…
Dark matter currents in the large-scale structure give rise to gravitomagnetic terms in the metric, which affect the light propagation. Corrections to the weak lensing power spectrum due to these gravitomagnetic potentials are evaluated by…
First-principles calculations with the full-potential linearized augmented plane-wave (FP-LAPW) method have been performed to investigate detailed electronic and linear optical properties of Sr$_{2}$CuO$_{2}$Cl$_{2}$, which is a classical…
In this work, we investigate the role of multi-nucleon (MN) effects (mainly 2p-2h and RPA) on the sensitivity measurement of various neutrino oscillation parameters, in the disappearance channel of NO$\nu$A (USA) experiment. Short-range…
We generalize the spectral sum rule preserving density matrix numerical renormalization group (DM-NRG) method in such a way that it can make use of an arbitrary number of not necessarily Abelian, local symmetries present in the quantum…
A simple theory for the leading-order correction g_1(r) to the structure of a hard-sphere liquid with discrete (e.g. square-well) potential perturbations is proposed. The theory makes use of a general approximation that effectively…
Nuclear Magnetic Resonance (NMR) is an intriguing quantum-mechanical effect that is used for daily life medical diagnostics and chemical analysis alike. Numerous advancements have contributed to the success of the technique, including…
The projection-based wave function (WF)-in-DFT embedding enables an efficient description of both the energetics and properties of large and complex chemical systems, with accuracy exceeding that of pure DFT. Recently, we have proposed…
Gravitational clustering is an intrinsically non-linear process that generates significant non-Gaussian signatures in the density field. We consider how these affect power spectrum determinations from galaxy and weak-lensing surveys.…
We study the nuclear medium effects and nonisoscalarity correction in the extraction of weak mixing angle sin$^2\theta_W$ using Paschos-Wolfenstein (PW) relation. The calculations are performed for the iron nucleus. The results are…
Predicting accurate NMR chemical shieldings relies upon cancellation of different types of error in the ab initio methodology used to calculate the shielding tensor of the analyte of interest and the reference. Often the intrinsic error in…
We have formulated and implemented a fully charge-self-consistent density functional theory plus dynamical mean field theory methodology which enables an efficient calculation of the total energy of realistic correlated electron systems.…
A closed-form model for the nonlinear interference (NLI) in Raman amplified links is presented, the formula accounts for both forward (FW) and backward (BW) pumping schemes and inter-channel stimulated Raman scattering (ISRS) effect. The…
In the present work, a relation has been established between degree of polarization and effective mass ratio (EMR) and magnetoresistance (MR) of one-dimensional non-degenerate system (which can represent a nano-wire or a linear chain of…
Predicting volume swelling of structural materials in nuclear reactors under high-dose neutron irradiations based on existing low-dose experiments or irradiation data with high-dose-rate energetic particles has been a long-standing…
Accurately calibrated (or ``best fit'') relativistic mean-field models are used to compute the distribution of isoscalar monopole strength in 90Zr and 208Pb, and the isovector dipole strength in 208Pb using a continuum…