Related papers: Ab initio thermochemistry beyond chemical accuracy…
Chemical reactions can be surprisingly efficient at ultracold temperatures ( < 1mK) due to the wave nature of atoms and molecules. The study of reactions in the ultracold regime is a new research frontier enabled by cooling and trapping…
Harmonic oscillator model-space truncations introduce systematic errors to the calculation of binding energies and other observables. We identify the relevant infrared scaling variable and give values for this nucleus-dependent quantity. We…
The calculation of potential energy surfaces for quantum dynamics can be a time consuming task -- especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm…
Recent calculations using coupled cluster on solids have raised discussion of using a $N^{-1/3}$ power law to fit the correlation energy when extrapolating to the thermodynamic limit, an approach which differs from the more commonly used…
A method for measurement of energy of high-energy particles by a thin calorimeter, is presented. The method is based on the correlation analysis of dependence of number of secondary particles, $N_e$, at observation level and the relation of…
Core-polarization interactions are investigated in low-energy electron elastic scattering from the atoms In,Sn,Eu,Au and At through the calculation of their electron affinities. The complex angular momentum method wherein is embedded the…
While recent work towards the development of tight-binding and ab-initio algorithms has focused on molecular dynamics, Monte Carlo methods can often lead to better results with relatively little effort. We present here a multi-step Monte…
We show that we can predict the first ionization energy of the carbon atom to within 0.872 cm$^{-1}$ of the experimental value. This is an improvement of more than a factor of 6.5 over the preceding best prediction in [Phys. Rev. A 81,…
Primary power standards in the microwave domain are realized using a calorimetric technique, usually identified with the used measurement system, i.e., the microcalorimeter. It is adjusted for measurement of power ratios with a relative…
The analysis and modelling of a range of plasmas (for example: astrophysical, laser-produced and fusion), require atomic data for a number of parameters, such as energy levels, radiative rates and electron impact excitation rates, or…
This paper presents the electron and photon energy calibration achieved with the ATLAS detector using about 25 fb$^{-1}$ of LHC proton--proton collision data taken at centre-of-mass energies of $\sqrt{s}$ = 7 and 8 TeV. The reconstruction…
The accurate determination of the preferred ${\rm Si}_{12}{\rm C}_{12}$ isomer is important to guide experimental efforts directed towards synthesizing SiC nano-wires and related polymer structures which are anticipated to be highly…
By decomposing the CMB temperature fluctuations \emph{squared} into spherical harmonics, we can define the \emph{CMB power multipoles} as the fundamental observables to quantify any generic modulations in the CMB. This allows for simple…
The performance of two recent {\em ab initio} computational thermochemistry schemes, W1 and W2 theory [J.M.L. Martin and G. de Oliveira, J. Chem. Phys. 111, 1843 (1999}], is assessed for an enlarged sample of thermochemical data consisting…
The coupled cluster method is considered a gold standard in quantum chemistry, reliably giving energies that are exact within chemical accuracy (1.6 mHartree). However, even in the CCSD approximation, where the cluster operator is truncated…
This paper presents the electron and photon energy calibration obtained with the ATLAS detector using 140 fb$^{-1}$ of LHC proton-proton collision data recorded at $\sqrt{s}=13$ TeV between 2015 and 2018. Methods for the measurement of…
We use the AdS/CFT conjecture to investigate the thermalization of large-N_c N=4 Super Yang-Mills plasma in the limit of large but finite 't Hooft coupling. On the gravity side, we supplement the type IIB supergravity action by the full set…
The effectiveness of the thermal coupling of ions and electrons in the context of optically thin, hot accretion flows is investigated. In the limit of complete coupling, we focus on the one-temperature accretion flows. Based on a global…
We compute the $\mathcal{O}(k^2)$ terms (power corrections) of the photon polarization tensor in a hot and dense medium of particles with a small but finite mass, i.e., $0< m\ll T, \mu$. We perform our calculations within the hard thermal…
Large-scale atomistic simulations rely on interatomic potentials providing an efficient representation of atomic energies and forces. Modern machine-learning (ML) potentials provide the most precise representation compared to electronic…