Related papers: Correlation consistent effective core potentials f…
The advantages introduced by carbon fiber reinforced polymer (CFRP) composites has made them an appropriate choice in many applications and an ideal replacement for conventional materials. The benefits using CFRP composites are due to their…
High precision atomic data is indispensable for experiments involving studies of fundamental interactions, astrophysics, atomic clocks, plasma science, and others. We develop new parallel atomic structure codes and explore the difficulties…
Energy-energy-correlators (EEC's) are a promising observable to study the dynamics of jet evolution in the quark-gluon plasma (QGP) through its imprint on angular scales in the energy flux of final-state particles. We carry out the first…
Two-body $ ^{4}\textrm{He}\left(\alpha\right)$-charmonium $ \left(c\bar{c}\right) $ potentials in the single-folding potential (SFP) approach are built by using a first principles HAL QCD low-energy $ NJ/\psi$ and $ N\eta_{c} $…
The expected experimental precision of the rates and asymmetries in the Future Circular Collider with electron positron beams (FCC-ee) in the centre of the mass energy range 88-365GeV considered for construction in CERN, will be better by a…
We investigate the electronic structure of 4d transition metal oxides, CaRuO3 and SrRuO3. The analysis of the photoemission spectra reveals significantly weak electron correlation strength (U/W ~ 0.2) as expected in 4d systems and resolves…
We report energy levels, radiative rates (A-values) and lifetimes for the astrophysically-important Be-like ion C III. For the calculations, 166 levels belonging to the $n \le$ 5 configurations are considered and the {\sc grasp}…
The accurate description of nuclear quantum effects, such as zero-point energy, is important for modeling a wide range of chemical and biological processes. Within the nuclear-electronic orbital (NEO) approach, such effects are incorporated…
Possible CP violating effects in $Z\rightarrow$ 3 jet decays are investigated. The analysis assumes the presence of CP violating $Zq\bar qG$ couplings. The contribution of these couplings to the $Z\rightarrow q\bar qG$ decay width is…
Energy-energy correlators (EECs), which are energy-weighted cross-sections of particle pairs, offer incisive probes into QCD dynamics, across the full scale of jet evolution, by separating energy scales in the jet fragmentation through the…
The computational design of materials with ionic bonds poses a critical challenge to thermodynamic modeling since density functional theory yields inaccurate predictions of their formation enthalpies. Progress requires leveraging physically…
A hierarchy of wavefunction composite methods (cWFT), based on G4- type cWFT methods available for elements H through Rn, was recently reported by Semidalas and Martin [J. Chem. Theor. Comput. 2020, 16, 4238]. We extend this hierarchy by…
We improve QCD calculations of the $B_{d, s} \to \pi, K$ form factors at large hadronic recoil by implementing the next-to-leading-logarithmic resummation for the obtained leading-power light-cone sum rules in the soft-collinear effective…
We present a study of medium-induced modifications to the energy-energy correlator (EEC) for jets in cold nuclear matter. For electron-nucleus collisions, at leading order in the QCD coupling and in the jet-medium interaction, we derive an…
We apply the coherent potential approximation (CPA) to a simple model for disordered superconductors with d-wave pairing. We demonstrate that whilst the effectiveness of an electronic Van Hove singularity to enhance the transition…
Large-scale relativistic calculations are performed for the transition energy and line strength of the $ 1s^{2} 2s 2p$ $^1P_{1} \,-\ 1s^{2} 2s^{2}$ $^1S_{0} $ transition in Be-like carbon. Based on the multiconfiguration…
Energy-correlator-based jet substructure has gained significant attention in recent years. One of the notable applications has been the study of multi-scale jets, where distinct physical scales manifest as features localised in different…
Localized atomic orbitals are the preferred basis-set choice for large-scale explicit correlated calculations, and high-quality hierarchical correlation-consistent basis sets are a prerequisite for correlated methods to deliver numerically…
We report the core binding energies of K-edge and L-edge transitions in simple semiconducting and insulating solids using periodic equation-of-motion coupled-cluster theory with single and double excitations (EOM-CCSD). In our all-electron…
Electron-phonon coupling, being one of the most important parameters governing the material evolution after ultrafast energy deposition, yet remains the most unexplored one. In this work, we applied the dynamical coupling approach to…