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For layered materials, the interlayer stacking is a critical degree of freedom tuning electronic properties, while its microscopic characterization faces great challenges. The transition-metal dichalcogenide 1T-TaS$_2$ represents a novel…
Couplings between relative motion and internal structures are known to affect fusion barriers by dynamically modifying the densities of the colliding nuclei. The effect is expected to be stronger at energies near the barrier top, where…
We present a finite-temperature extension of density matrix embedding theory (FT-DMET) for realistic crystalline systems. We describe a practical framework for constructing extended bath orbitals, solving the embedding problem, and…
We investigate a density-functional theory (DFT) approach for an unpolarized trapped dilute Fermi gas in the unitary limit . A reformulation of the recent work of T. Papenbrock [Phys. Rev. A, {\bf 72}, 041602(R) (2005)] in the language of…
A modified version of the Faddeev three-body equation to accommodate the Coulomb interaction, which was used in the study of three-nucleon bound states, is applied to the proton-deuteron scattering problem at energies below the three-body…
We present a simplified density functional theory (DFT) method to com- pute vertical electron and hole attachment energies to frontier orbitals of molecules absorbed on insulating films supported by a metal substrate. The adsorbate and the…
In modern condensed matter theory, phases of electronic matter--such as metals and insulators-are fundamentally distinguished by the presence or absence of charge-carrying quasiparticles or excitations near the Fermi surface at low…
Nuclear Magnetic Resonance (NMR) shielding constants of transition metals in solvated complexes are computed at the relativistic density functional theory (DFT) level. The solvent effects evaluated with subsystem-DFT approaches are compared…
Inducing a magnetic gap at the Dirac point of the topological surface state (TSS) in a 3D topological insulator (TI) is a route to dissipationless charge and spin currents. Ideally, magnetic order is present only at the surface and not in…
The antiferromagnetic Heisenberg model on a stacked triangular geometry with a finite number of layers is studied using Monte Carlo methods. A topological phase transition occurs at finite temperature for all film thicknesses. Our results…
Orbital-free Density Functional Theory (OF-DFT) has been used when studying atoms, molecules and solids. In nuclear physics, there has been basically no application of OF-DFT so far, as the Density Functional Theory (DFT) has been widely…
Contributions of three-nucleon forces (3NF) to proton-deuteron scattering observables at energies below the deuteron breakup threshold are studied by solving the Faddeev equation that includes the Coulomb interaction. At E_p=3.0 MeV, we…
Study of the dephasing in electronic systems is not only important for probing the nature of their ground states, but also crucial to harnessing the quantum coherence for information processing. In contrast to well-studied conventional…
Neutrino physics is advancing into a precision era with the construction of new experiments, particularly in the few GeV energy range. Within this energy range, neutrinos exhibit diverse interactions with nucleons and nuclei. This study…
The discrete fracture model (DFM) has been widely used in the simulation of fluid flow in fractured porous media. Traditional DFM uses the so-called hybrid-dimensional approach to treat fractures explicitly as low-dimensional entries (e.g.…
In the last decade, quantum simulators, and in particular cold atoms in optical lattices, have emerged as a valuable tool to study strongly correlated quantum matter. These experiments are now reaching regimes that are numerically difficult…
Transfer learning (TL) allows a deep neural network (DNN) trained on one type of data to be adapted for new problems with limited information. We propose to use the TL technique in physics. The DNN learns the details of one process, and…
The Faddeev-Yakubovsky equations have been solved in configuration space for the four nucleon system. The n+t elastic cross section has been calculated using several realistic interactions and a phenomenological three-nucleon force. Special…
Dimensionality is a fundamental concept in physics, which plays a hidden but crucial role in various domains, including condensed matter physics, relativity and string theory, statistical physics, etc. In quantum physics, reducing…
I study cross dimensionality of $p$-orbital atomic fermions loaded in an optical square lattice with repulsive interactions. The cross-dimensionality emerges when the transverse tunneling of $p$-orbital fermions is negligible. With…