Related papers: Does basis set superposition error significantly a…
Obtaining sub-chemical accuracy (1 kJ mol${}^{-1}$) for reaction energies of medium-sized gas-phase molecules is a longstanding challenge in the field of thermochemical modeling. The perturbative triples correction to CCSD, CCSD(T),…
We investigate the basis-set convergence of electronic correlation energies calculated using coupled cluster theory and a recently proposed finite basis-set correction technique. The correction is applied to atomic and molecular systems and…
The process $p \pbar \rightarrow W^{\pm}\gamma + X \rightarrow \ell^\pm \nu \gamma + X$ is calculated to ${\cal O}(\alpha_s)$ for general $CP$ conserving $WW\gamma$ couplings. At the Tevatron center of mass energy, the QCD corrections to…
The process $p\,\pbar \rightarrow W^{\pm}Z + X \rightarrow \ell^\pm_1 \nu_1 \ell_2^+ \ell_2^- + X$ is calculated to ${\cal O}(\alpha_s)$ for general $C$ and $P$ conserving $WWZ$ couplings. At the Tevatron center of mass energy, the QCD…
The importance of post-CCSD(T) corrections as high as CCSDTQ56 for ground-state spectroscopic constants ($D_e$, $\omega_e$, $\omega_ex_e$, and $\alpha_e$) has been surveyed for a sample of two dozen mostly heavy-atom diatomics spanning a…
We investigate the convergence of coupled-cluster correlation energies and related quantities with respect to the employed basis set size for the uniform electron gas to gain a better understanding of the basis set incompleteness error. To…
The inner-shell correlation contributions to the total atomization energies (TAEs) of the W4-17 computational thermochemistry benchmark have been determined at the CCSD(T) level near the basis set limit using several families of core…
We calculate the QCD corrections to the cross section of e^+ e^- -> t anti-b H^- and its charge-conjugate counterpart within the minimal supersymmetric extension of the Standard Model. This process is particularly important if m_t < m_H +…
Recent progress in calculations of QED radiative corrections to parity nonconservation in atoms is reviewed. The QED vacuum polarization, the self-energy corrections and the vertex corrections are shown to be described very reliably by…
We have investigated the title question for the W4-08 thermochemical benchmark using partial-wave truncations of a large reference (REF) basis set, as well as for standard F12-optimized basis sets. With the REF basis set, the root mean…
We propose a non-iterative, post hoc correction to the unitary coupled cluster theory with single, double, and triple excitations (UCCSDT) ansatz, which considers the leading-order effects of neglected quadruple excitations. We present two…
We have calculated part of O(${\alpha}_{S}$) QCD radiative correction to the total cross-section of top's threshold production in $ e^{+}e^{-} \to t\bar t \to W^{-} b W^{+} \bar b$ reaction. We found out a curious fact: there is no…
Recent experiments have revealed that beyond-mean-field corrections are much more relevant in weakly-interacting dipolar condensates than in their non-dipolar counterparts. We show that in quasi-one-dimensional geometries quantum…
We present the first application to real molecular systems of the recently proposed linear-response theory for the density-based basis-set correction method [J. Chem. Phys. 158, 234107 (2023)]. We apply this approach to accelerate the…
The (T) and [T] perturbative corrections are derived for multicomponent coupled-cluster theory with single and double excitations (CCSD). Benchmarking shows that multicomponent CCSD methods that include the perturbative corrections are more…
The aim of this letter is to introduce a new method to analyze the local basis set superposition error (LBSSE) using local counterpoise corrections (CP) in order to converge a basis set for a given compound. Using this approach, we are able…
Coupled cluster with single, double, and perturbative triple excitations [CCSD(T)] has been extensively employed as the reference method in benchmarking different quantum chemistry methods. In this work, we test the accuracy of CCSD(T)…
The thermochemistry of the carbon clusters C$_n$ (n=2--10) has been revisited by means of W4 theory and W3.2lite theory. Particularly the larger clusters exhibit very pronounced post-CCSD(T) correlation effects. Despite this, our best…
The self-energy and the vertex radiative corrections to the effect of parity nonconservation in heavy atoms are calculated analytically in orders Z alpha^2 and Z^2 alpha^3 ln(lambda_C/r_0), where lambda_C and r_0 being the Compton…
The process $p\,p\hskip-7pt\hbox{$^{^{(\!-\!)}}$} \rightarrow W^{+} W^{-} + X \rightarrow \ell^+_1 \nu_1 \ell^-_2 \bar \nu_2 + X$ is calculated to ${\cal O}(\alpha_s)$ for general $C$ and $P$ conserving $WWV$ couplings ($V=\gamma,\, Z$).…