Related papers: Transcorrelated Theory with Pseudopotentials
While it is known that the amplification of the superconducting critical temperature Tc is possible in a system of multiple electronic components in comparison with a single component system, many different road maps for room temperature…
In this paper we introduce the concept of super periodic potential (SPP) of arbitrary order $n$, $n \in I^{+}$, in one dimension. General theory of wave propagation through SPP of order $n$ is presented and the reflection and transmission…
In the last decades, tensors have emerged as the right tool to represent multidimensional data in a compact yet informative manner. Moreover, it is well-known that by performing low-rank factorizations of such tensors one is often able to…
The coherent potential approximation (CPA) is extended to describe satisfactorily the motion of particles in a random potential which is spatially correlated and smoothly varying. In contrast to existing cluster-CPA methods, the present…
Factorial clustering methods have been developed in recent years thanks to the improving of computational power. These methods perform a linear transformation of data and a clustering on transformed data optimizing a common criterion.…
We developed a new variational method for tensor-optimized antisymmetrized molecular dynamics (TOAMD) for nuclei. In TOAMD, the correlation functions for the tensor force and the short-range repulsion are introduced and used in the power…
This is a brief review of the Schrodinger's factorization method and its relations to supersymmetric quantum mechanics and its nonlinear (parastatistical, etc) modifications, self-similar infinite soliton potentials, quantum algebras,…
We develop ultratransferable pseudopotentials for the contact interaction that are 100 times more accurate than contemporary approximations. The pseudopotential offers scattering properties very similar to the contact potential, has a…
The method used earlier for analysis of correlated nanoscopic systems is extended to infinite (periodic) s-band like systems described by the Hubbard model and its extensions. The optimized single-particle wave functions contained in the…
Coupled tensor decompositions (CTDs) perform data fusion by linking factors from different datasets. Although many CTDs have been already proposed, current works do not address important challenges of data fusion, where: 1) the datasets are…
The strong-coupling perturbation theory (SCPT) for correlated electron systems is extended to the case of full Coulomb interaction. The Coulomb mechanism of the orbital polarization is discussed and attention is paid to the importance of…
In this paper, we improved the performance of the contrast source inversion (CSI) method by incorporating a so-called cross-correlated cost functional, which interrelates the state error and the data error in the measurement domain. The…
Chiral perturbation theory (ChPT) is an effective field theory that describes the properties of strongly-interacting systems at energies far below typical hadron masses. The degrees of freedom are hadrons instead of the underlying quarks…
It was recently shown that the exact factorization of the electron-nuclear wavefunction allows the construction of a Schr\"odinger equation for the electronic system, in which the potential contains exactly the effect of coupling to the…
Compact and accurate wave functions can be constructed by quantum Monte Carlo methods. Typically, these wave functions consist of a sum of a small number of Slater determinants multiplied by a Jastrow factor. In this paper we study the…
When the sizes of photonic nanoparticles are much smaller than the excitation wavelength, their optical response can be efficiently described with a series of polarizability tensors. Here, we propose a universal method to extract the…
Lattice thermal conductivity (TC) of semiconductors is crucial for various applications, ranging from microelectronics to thermoelectrics. Data-driven approach can potentially establish the critical composition-property relationship needed…
Self-consistent phonon (SCP) theory and its application in computing thermodynamic properties of materials are reviewed from a historical perspective. Various more recent implementations based on first-principles electronic structure…
We study the scattering of J/$\Psi$-J/$\Psi$ mesons using Quadratic and Cornell potentials in our tetraquark ($c$$\bar{c}$$c$$\bar{c}$) system. The system's wavefunction in the restricted gluonic basis is written by utilizing adiabatic…
Transparent conducting oxides (TCOs) are essential to many technologies including solar cells and transparent electronics. The search for high performance n- or p-type TCOs has mainly focused on materials offering transport through band…