Related papers: Post-CCSD(T) corrections in the S66 noncovalent in…
We calculate the electroweak and QCD corrections to W-W+ -> tt and ZZ -> tt. We also consider the interplay of these corrections with the effect of anomalous interactions that affect the massive weak bosons and the top. The results at the…
Accurate treatment of the long-range electron correlation energy, including van der Waals (vdW) or dispersion interactions, is essential for describing the structure, dynamics, and function of a wide variety of systems. Among the most…
We show that multichannel quantum defect theory (MQDT) can be applied successfully as an efficient computational method for cold molecular collisions in Li+NH, which has a deep and strongly anisotropic interaction potential. In this…
We present the WCCR10 data set of ten ligand dissociation energies of large cationic transition metal complexes for the assessment of approximate exchange--correlation functionals. We analyze nine popular functionals, namely BP86, BP86-D3,…
Twenty-five molecule-anion complex systems [I4Tt...X-] (Tt = C, Si, Ge, Sn and Pb; X = F, Cl, Br, I, At) were examined using density functional theory (wB97XD) and ab initio (MP2 and CCSD) methods to demonstrate the ability of the tetrel…
We compute the bulk, $\zeta$, and shear, $\eta$, viscosity over entropy density, $s$, for the QCD matter formed in small collision systems at LHC. We consider a scenario of the String Percolation Model by proposing a global form of the…
Given the omnipresence of non-covalent interactions (NCIs), their accurate simulations are of crucial importance across various scientific disciplines. Here we construct accurate models for the description of NCIs by an interpolation along…
Although selected configuration interaction (SCI) algorithms can tackle much larger Hilbert spaces than the conventional full CI (FCI) method, the scaling of their computational cost with respect to the system size remains inherently…
Precision tests of QCD perturbation theory are not readily available from experimental data. The main reasons are systematic uncertainties due to the confinement of quarks and gluons, as well as kinematical constraints which limit the…
The effects of electromagnetic interactions on pseudoscalar decay constants are investigated. Using a compact QED and QCD action we are able to resolve differences of about 0.1 MeV. We obtain the preliminary results f_pi^0-f_pi^+/- =0.09(3)…
Contrary to standard coupled cluster doubles (CCD) and Brueckner doubles (BD), singlet-paired analogues of CCD and BD (denoted here as CCD0 and BD0) do not break down when static correlation is present, but neglect substantial amounts of…
The QCD coupling, $\alpha_s$, is not a physical observable since it depends on conventions related to the renormalization procedure. Here we discuss a redefinition of the coupling where changes of scheme are parametrised by a single…
We have explored the use of range separation as a possible avenue for further improvement on our revDSD minimally empirical double hybrid functionals. Such $\omega$DSD functionals encompass the XYG3 type of double hybrid (i.e., xDSD) as a…
We describe further details of the Stochastic Coupled Cluster method and a diagnostic of such calculations, the shoulder height, akin to the plateau found in Full Configuration Interaction Quantum Monte Carlo. We describe an initiator…
Charge-stabilized colloidal suspensions display a rich variety of microstructural and thermodynamic properties, which are determined by electro-steric interactions between all ionic species. The large size asymmetry between molecular-scale…
We introduce single and double particle-hole excitations in the recently revived spin-projected Hartree-Fock. Our motivation is to treat static correlation with spin-projection and recover the residual correlation, mostly dynamic in nature,…
We have evaluated hyperfine-induced electron spin dynamics for two electrons confined to a double quantum dot. Our quantum solution accounts for decay of a singlet-triplet correlator even in the presence of a fully static nuclear spin…
We substantiate a covariant proposal for the holographic reflected entropy in $CFT$s dual to non-static $AdS$ geometries from the bulk extremal entanglement wedge cross section in the literature with explicit computations in the…
We discuss the one-loop virtual-sparticle corrections to QCD jet cross sections at large $E_T$ and large dijet invariant masses, with reference to present Tevatron and future LHC collider experiments. We find characteristic peaks and dips…
In supersymmetric theories, the top quark can decay into its scalar partner plus a neutralino, with an appreciable rate. We calculate the $O(\alpha_s)$ QCD corrections to this decay mode in the minimal supersymmetric extension of the…