Search results for "Perturbation Theory"
showing 10 items of 584 documents
A one-electron variant of direct perturbation theory for the treatment of scalar-relativistic effects
2018
The different importance of scalar-relativistic two-electron contributions in second-order direct perturbation theory (DPT2) and the spin-free one-electron variant of exact two-component theory (SF...
Ab initio quantum-chemical computations of the electronic states in HgBr2 and IBr: Molecules of interest on the Earth’s atmosphere
2016
The electronic states of atmospheric relevant molecules IBr and HgBr are reported, within the UV-Vis spectrum range (170nm≤λphoton≤600 nm) by means of the complete-active-space self-consistent field/multi-state complete-active-space second-order perturbation theory/spin-orbit restricted-active-space state-interaction (CASSCF/MS-CASPT2/SO-RASSI) quantum-chemical approach and atomic-natural-orbital relativistic-correlation-consistent (ANO-RCC) basis sets. Several analyses of the methodology were carried out in order to reach converged results and therefore to establish a highly accurate level of theory. Good agreement is found with the experimental data with errors not higher than around 0.1 …
Updated determination of chiral couplings and vacuum condensates from hadronic tau decay data
2016
We analyze the lowest spectral moments of the left-right two-point correlation function, using all known short-distance constraints and the recently updated ALEPH V-A spectral function from tau decays. This information is used to determine the low-energy couplings L10 and C87 of chiral perturbation theory and the lowest-dimensional contributions to the Operator Product Expansion of the left-right correlator. A detailed statistical analysis is implemented to assess the theoretical uncertainties, including violations of quark-hadron duality.
Atomic structure calculations of superheavy noble element oganesson (Z=118)
2018
We calculate the spectrum and allowed E1 transitions of the superheavy element Og (Z=118). A combination of configuration interaction (CI) and perturbation theory (PT) is used (Dzuba \textit{et at.} Phys. Rev. A, \textbf{95}, 012503 (2017)). The spectrum of lighter analog Rn I is also calculated and compared to experiment with good agreement.
Erratum to: Some recent results in baryon chiral perturbation theory
2003
Chiral perturbation theory study of the axial N -> Delta(1232) transition
2008
We have performed a theoretical study of the axial Nucleon to Delta(1232) ($N\to\Delta$) transition form factors up to one-loop order in covariant baryon chiral perturbation theory within a formalism in which the unphysical spin-1/2 components of the $\Delta$ fields are decoupled.
Moments of nucleon structure functions at next-to-leading order in baryon chiral perturbation theory
2014
We obtain leading- and next-to-leading-order predictions of chiral perturbation theory for several prominent moments of nucleon structure functions. These parameter-free results turn out to be in overall agreement with the available empirical information on nearly all of the considered moments, in the region of low momentum transfer $({Q}^{2}l0.3\phantom{\rule{4pt}{0ex}}{\mathrm{GeV}}^{2})$. Especially surprising is the situation for the spin polarizability ${\ensuremath{\delta}}_{LT}$, which thus far was not reproducible in chiral perturbation theory for proton and neutron simultaneously. This problem, known as the ``${\ensuremath{\delta}}_{LT}$ puzzle,'' is not seen in the present calcula…
The S01 − Λ(1405) and − Λ(1670) resonances in meson-baryon unitarized coupled channel chiral perturbation theory
2003
Abstract The s-wave meson-baryon system with strangeness S = −1 and isospin I = 0 is studied using the Bethe-Salpeter coupled channel formalism incorporating Chiral Symmetry. The needed two particle irreducible potential is taken from lowest order Chiral Perturbation Theory in a relativistic formalism. The K N, πΣ, νΛ , and KΞ two-body channels have been included. Off-shell behavior is parameterized in terms of low energy constants, which outnumber those assumed in previous works and provide a better fit to the data. The masses, widths and branching ratios of the Λ(1405) and Λ(1670) resonances are determined. In our model, we find no one but two resonances in the Λ(1405) region.
Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. I. Triples expansions
2016
The accuracy at which total energies of open-shell atoms and organic radicals may be calculated is assessed for selected coupled cluster perturbative triples expansions, all of which augment the coupled cluster singles and doubles (CCSD) energy by a non-iterative correction for the effect of triple excitations. Namely, the second- through sixth-order models of the recently proposed CCSD(T-n) triples series [J. Chem. Phys. 140, 064108 (2014)] are compared to the acclaimed CCSD(T) model for both unrestricted as well as restricted open-shell Hartree-Fock (UHF/ROHF) reference determinants. By comparing UHF- and ROHF-based statistical results for a test set of 18 modest-sized open-shell species …