Related papers: GW100: A Slater Type Orbital Perspective

We analyze in detail the error that arises from the linearization in linearized augmented-plane-wave (LAPW) basis functions around predetermined energies $E_l$ and show that it can lead to undesirable dependences of the calculated results…

The Thomson scattering optical depth to reionisation, $\tau$, one of the six parameters of the $\Lambda$CDM model, is primarily constrained by the large-scale E-mode polarisation of the Cosmic Microwave Background (CMB). In this work, we…

We present an efficient scheme for accurate electronic structure interpolations based on the systematically improvable optimized atomic orbitals. The atomic orbitals are generated by minimizing the spillage value between the atomic basis…

Reliable computational methodologies and basis sets for modeling x-ray spectra are essential for extracting and interpreting electronic and structural information from experimental x-ray spectra. In particular, the trade-off between…

We reduced ESO's archival linear spectropolarimetry data (4000-9000\AA) of 6 highly polarized and 8 unpolarized standard stars observed between 2010 and 2016, for a total of 70 epochs, with the FOcal Reducer and low dispersion Spectrograph…

At finite temperatures ($\geq 10^7$K), $^{76}$Se is abundant in the core of massive stars and electron capture on $^{76}$Se has a consequential role to play in the dynamics of core collapse. The present work may be classified into two main…

Precision measurements, now and at a future linear electron-positron collider (ILC), can provide indirect information about the possible scale of supersymmetry. We illustrate the present-day and possible future ILC sensitivities within the…

Quantum--Mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those…

We present a measurement of the cosmic microwave background (CMB) lensing potential using 500 deg$^2$ of 150 GHz data from the SPTpol receiver on the South Pole Telescope. The lensing potential is reconstructed with signal-to-noise per mode…

An attractive way to model nuclear quantum effects is to describe select nuclei quantum mechanically at the same level as the electrons. This non-Born-Oppenheimer (non-BO) method is known by many names including the nuclear-electronic…

Cosmic rays (CRs) have strong influences on the chemistry of dense molecular clouds (MCs). To study the detailed chemistry induced by CRs, we conducted a Yebes W band line survey towards an unshocked MC (which we named as 3C391:NML)…

We follow the evolution of the Ionization Potential (IP) for the paradigmatic quasi-one-dimensional trans-acetylene family of conjugated molecules, from short to long oligomers and to the infinite polymer trans-poly-acetylene (TPA). Our…

We report a highly accurate \textit{ab initio} study of the ionization potential (IP) and electron affinity (EA) of element 119. Electronic correlation are treated within the relativistic coupled cluster theory including excitations up to…

We propose a simple linear scaling expression in reciprocal space for evaluating the ion--electron potential of crystalline solids. The expression replaces the long-range ion--electron potential with an equivalent localized charge…

We present measurements of the $E$-mode polarization angular auto-power spectrum ($EE$) and temperature-$E$-mode cross-power spectrum ($TE$) of the cosmic microwave background (CMB) using 150 GHz data from three seasons of SPTpol…

We present ECLIPSE (Efficient Cmb poLarization and Intensity Power Spectra Estimator), an optimized implementation of the Quadratic Maximum Likelihood (QML) method for the estimation of the power spectra of the Cosmic Microwave Background…

The total atomization energy of a molecule is the thermochemical cognate of the heat of formation in the gas phase, its most fundamental thermochemical property. We decompose it into different components and provide a survey of them. It…

We present an extension of our search for Extremely Inverted Spectrum Extragalactic Radio Sources (EISERS) to the northern celestial hemisphere. With an inverted radio spectrum of slope $\alpha$ > +2.5, these rare sources would either…

ITER coil tolerances are re-evaluated using the modern understanding of coupling to least-stable plasma modes and an updated center-line-traced model of ITER's coil windings. This reassessment finds the tolerances to be conservative through…

We present measurements of the $E$-mode ($EE$) polarization power spectrum and temperature-$E$-mode ($TE$) cross-power spectrum of the cosmic microwave background using data collected by SPT-3G, the latest instrument installed on the South…