Related papers: GW100: A Slater Type Orbital Perspective
Using two different approaches, we perform updated and detailed calculations of the complete one-loop (Next-to-Leading Order (NLO)) set of electroweak radiative corrections to the parity violating e- e- -> e- e- (gamma) scattering…
In this paper we consider calculation of two-centre exchange integrals over Slater-type orbitals (STOs). We apply the Neumann expansion of the Coulomb interaction potential and consider calculation of all basic quantities which appear in…
Strong magnetic fields such as those found on white dwarfs have significant effects on the electronic structure of atoms and molecules. However, the vast majority of molecular studies in the literature in such fields are carried out with…
Electronic structure properties of nanowires (NW) with diameters of 1.5 nm and 3 nm based on semimetallic $\alpha$-Sn are investigated by employing density functional theory and perturbative $GW$ methods. We explore the dependence of…
Complete orthonormal sets of exponential-type orbitals with non-integer principal quantum numbers are discussed as basis functions in non-relativistic Hartree-Fock-Roothaan electronic structure calculations of atoms. A method is proposed to…
Strontium (Sr) emissions have been observed across a wide range of astrophysical phenomena, from kilonovae (KNe) events to white dwarf (WD) stars. Precise and extensive atomic data for low ionisation stages of Sr is required for accurate…
IsoDAR provides a pure and intense $\bar \nu_e$ source with an average energy of 6.5 MeV produced through $^8$Li $\beta$-decay. This source can be paired with a large scintillator detector, such as KamLAND, to produce a sample of $\bar…
This paper advocates use of the atomic orbitals which have direct physical interpretation, i.e. Coulomb Sturmians and hydrogen-like orbitals. They are exponential type orbitals (ETOs). Their radial nodes are shown to be essential in…
Twisted van der Waals heterostructures and the corresponding superlattices, moire superlattices, are remarkable new material platforms, in which electron interactions and excited-state properties can be engineered. Particularly, the band…
The combination of STIS and optical spectroscopy with STIS imaging of the field surrounding J2233-606 afford a unique opportunity to study the physical nature of the Quasar Absorption Line systems. We present an analysis of the ionization…
Precision measurements, now and at a future linear electron-positron collider (ILC), can provide indirect information about the possible scale of supersymmetry. Performing a chi^2 analysis, we illustrate the present-day and possible future…
We present a new upper limit on CMB circular polarization from the 2015 flight of SPIDER, a balloon-borne telescope designed to search for $B$-mode linear polarization from cosmic inflation. Although the level of circular polarization in…
The extension of the highly-optimized local natural orbital (LNO) CCSD(T) method is presented for high-spin open-shell molecules. The techniques enabling the outstanding efficiency of the closed-shell LNO-CCSD(T) variant are adopted,…
We investigate using optically trapped linear polyatomic molecules as probes of nuclear spin-dependent parity violation. The presence of closely spaced, opposite-parity $\ell$-doublets is a general feature of such molecules, allowing…
In the context of high-accuracy computational thermochemistry, the valence CCSD correlation component of molecular atomization energies present the most severe basis set convergence problem, followed by the (T) component. In the present…
Simulation-based inference (SBI) has become an important tool in cosmology for extracting additional information from observational data using simulations. However, all cosmological simulations are approximations of the actual universe, and…
We present a protocol for computing core-ionisation energies for molecules, which is essential for reproducing X-Ray photoelectron spectroscopy experiments. The electronic structure of both the ground state and the core-ionised states are…
Precision observables are well known for constraining most of the Beyond Standard Model (BSM) scenarios tightly. We present here a simple and comprehensive fitting framework for various BSM scenarios to these observables. We start with the…
We present an analysis of Spitzer-IRS observations of H2O, OH, HCN, C2H2, and CO2 emission, and Keck-NIRSPEC observations of CO emission, from a diverse sample of T Tauri and Herbig Ae/Be circumstellar disks. We find that detections and…
We report state-of-the-art ab initio calculations of the potential energy curve for the $a^3\Sigma_u^+$ state of the lithium dimer conducted to achieve spectroscopic accuracy ($<$1cm$^{-1}$) without any prior adjustment to fit the…