Related papers: Transcorrelated Theory with Pseudopotentials
One way to study the physical plausibility of closed timelike curves (CTCs) is to examine their computational power. This has been done for Deutschian CTCs (D-CTCs) and post-selection CTCs (P-CTCs), with the result that they allow for the…
The analysis of Fourier-transformed scanning-tunneling-microscopy (STM) images with subatomic resolution is a common tool for studying properties of quasiparticle excitations in strongly correlated materials. While Fourier amplitudes are…
Since the groundwork published by Torres-Vega and Frederick, the Quantum Phase Space Representation (QPSR) has been explored as a method for solving a multitude of physical systems and describing phenomena. Most recently, Valentino A.…
By expressing the time-independent Schrodinger equation in one dimension as a system of two first-order differential equations, the transfer matrix for a rectangular potential barrier is obtained making use of the matrix exponential. It is…
We study the thermal partition function of superstring on the pp-wave background with the circle compactification along a transverse direction. We calculate it in the two ways: the operator formalism and the path-integral calculation. The…
We employ a homogenization technique based on the Lorentz electronic theory to show that planar chiral structures (PCSs) can be described by an effective dielectric tensor similar to that of biaxial elliptically dichroic crystals. Such a…
We present a fully variational generalization of the pseudo self-interaction correction (VPSIC) approach previously presented in two implementations based on plane-waves and atomic orbital basis set, known as PSIC and ASIC, respectively.…
The molecular Schr\"odinger equation is rewritten in terms of non-unitary equations of motion for the nuclei (or electrons) that depend parametrically on the configuration of an ensemble of generally defined electronic (or nuclear)…
We report an extensive theoretical study of the protonated water dimer (Zundel ion) by means of the highly correlated variational Monte Carlo and lattice regularized Monte Carlo approaches. This system represents the simplest model for…
Accurate cascaded channel state information is pivotal for extremely large-scale intelligent reflecting surfaces (XL-IRS) in next-generation wireless networks. However, the large XL-IRS aperture induces spherical wavefront propagation due…
The development of high-performance multifunctional polymer-based electronic circuits is a major step towards future flexible electronics. Here, we demonstrate a tunable approach to fabricate such devices based on rationally designed…
A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set…
Coupled tensor decomposition reveals the joint data structure by incorporating priori knowledge that come from the latent coupled factors. The tensor ring (TR) decomposition is invariant under the permutation of tensors with different mode…
Efficient chip-scale interconnects are essential for modern microelectronic-photonic systems, supporting high bandwidth and low-latency processing. Traditional wired links face high resistivity and latency, while millimeter-wave wireless…
Accurate prediction of electron transport coefficients is crucial for understanding warm dense matter. Utilizing the density functional theory (DFT) with the Kubo-Greenwood formula is widely used to evaluate the electrical and thermal…
Remarkably rich physics is involved in the behavior of hybrid Josephson junctions, connecting high-Tc and low-Tc superconductors. This relates in particular to the different order parameter symmetries underlying the formation of the…
The alternative separation of exchange and correlation energies proposed by Toulouse et al. [Theor. Chem. Acc. 114, 305 (2005)] is explored in the context of multi-configuration range-separated density-functional theory. The new…
The wavelength of a periodic spatial structure of Turing type is an intrinsic property of the considered reaction-diffusion dynamics and we address the question of its control at the microscopic scale for given dynamical parameters. The…
Localized orbital coupled cluster theory has recently emerged as an nonempirical alternative to DFT for large systems. Intuitively, one might expect such methods to perform less well for highly delocalized systems. In the present work, we…
Perturbation theory (PT) might be one of the most powerful and fruitful tools for both physicists and chemists, which evoked an explosion of applications with the blooming of atomic and subatomic physics. Even though PT is well-used today,…