Related papers: How specific exponential type orbitals recently be…
We determine the general local-in-time effective-one-body (EOB) Hamiltonian for massless Scalar-Tensor (ST) theories at third post-Newtonian (PN) order. Starting from the Lagrangian derived in [Phys. Rev. D 99, 044047 (2019)], we map it to…
We present a new effective-one-body (EOB) model for eccentric binary coalescences. The model stems from the state-of-the-art model TEOBResumS$\_$SM for circularized coalescing black-hole binaries, that is modified to explicitly incorporate…
Decohering topological order (TO) is central to the many-body physics of open quantum matter and decoding transitions. We identify relevant statistical mechanical models for decohering non-Abelian TO, which have been crucial for…
Strontium titanate (STO) possesses promising properties for applications in thermoelectricity, catalysis, fuel cells, and more, but its performance is highly dependent on stoichiometry and impurity levels. While atom probe tomography (APT)…
A new approach to approximate the kinetic-energy-functional dependent component ($v_t[\rho_A,\rho_B](\vec{r})$) of the effective potential in one-electron equations for orbitals embedded in a frozen density environment (Eqs. 20-21 in…
We demonstrate, based on low-temperature scanning tunneling microscopy (STM) and spectroscopy, a pronounced negative differential resistance (NDR) in spin-crossover (SCO) molecular devices, where a Fe$^{\text{II}}$ SCO molecule is deposited…
An explicitly orbital-dependent correlation energy functional is proposed, which is to be used in combination with the orbital-dependent exchange energy functional in energy-band calculations. It bears a close resemblance to the…
So far, 24 Isolated neutron stars (INSs) of different types have been identified at optical wavelengths, from the classical radio pulsars to more peculiar objects, like the magnetars. Most identifications have been obtained in the last 20…
The need for accurate calculations on atoms and diatomic molecules is motivated by the opportunities and challenges of such studies. The most commonly-used approach for all-electron electronic structure calculations in general - the linear…
Photoemission orbital tomography (POT) from photoelectron momentum maps (PMMs) has enabled detailed analysis of the shape and energy of molecular orbitals in the adsorbed state. This study proposes a new POT method based on the PhaseLift.…
Localized basis sets in the projector augmented wave formalism allow for computationally efficient calculations within density functional theory (DFT). However, achieving high numerical accuracy requires an extensive basis set, which also…
Multi-messenger observations of neutron stars (NSs) and their mergers have placed strong constraints on the dense-matter equation of state (EOS). The EOS, in turn, depends on microscopic nuclear interactions that are described by nuclear…
The method of the space dependent basis is applied to study electronic spinors in a crystal. The crystal in the momentum space is described by the Brillouine zone which might contains obstructions or degeneracies for which requires…
The linear combination of atomic orbitals (LCAO) is a standard method for studying solids and molecules, it is also known as the tight$-$binding (TB) method. In most of the implementations only the basis set and the coupling constants are…
To relate constraints from nuclear physics to the tidal deformabilities of neutron stars, we construct a neutron star model that accepts input from a large collection of Skyrme density functions to calculate properties of 1.4 solar-mass…
\textit{Ab initio} pseudo-atomic orbital (PAO) Hamiltonians express the electronic structure of a solid in a compact, localized basis that spans the same Hilbert space as a conventional Slater--Koster tight-binding model, thereby providing…
As a model of a neutron halo nucleus we consider a neutron bound to an inert core by a zero range force. We study the breakup of this simple nucleus in the Coulomb field of a target nucleus. In the post-form DWBA (or, in our simple model…
Trotter product formulas constitute a cornerstone quantum Hamiltonian simulation technique. However, the efficient implementation of Hamiltonian evolution of nested commutators remains an under explored area. In this work, we construct…
A novel class of electro-magneto-elastic (EME) materials comprise electro-active and magneto-active particles in the polymer matrix that change their elastic behavior with an applied electromagnetic field. The material response for such a…
Exceptional points (EPs) in non-Hermitian systems have recently attracted wide interests and spawned intriguing prospects for enhanced sensing. However, EPs have not yet been realized in thermal atomic ensembles, which is one of the most…