相关论文: Correlation consistent effective core potentials f…
The sensitivity of calorimetric energy-energy correlation function to the medium-induced energy loss of fast partons in high multiplicity heavy ion interactions is demonstrated at the appropriate selection of events for the analysis,…
We develop a formulation of the coherent potential approximation (CPA) on the basis of the Wannier representation to develop a computationally efficient method for the treatment of homogeneous random alloys that is independent on the…
The electronic structure, when restricted to the d-band approximation, is a computational model that is both efficient and useful for describing transition metals. In the absence of considering delocalized sp-states, this approximation…
Mixed-precision computing has the potential to significantly reduce the cost of exascale computations, but determining when and how to implement it in programs can be challenging. In this article, we propose a methodology for enabling…
After an extensive assessment of the effective collision strengths available to model the He-like triplet of C V, N VI, O VII, Ne IX, Mg XI and Si XIII in collisionally dominated plasmas, new accurate effective collision strengths are…
We have found that CeCd$_{3}$P$_{3}$ crystallizes into a hexagonal ScAl$_{3}$C$_{3}$-type structure. The optical, transport and magnetic properties of CeCd$_{3}$P$_{3}$ were investigated by measuring the diffuse reflectance, electrical…
Searching for ambient-pressure conventional superconductors with critical temperatures (TC) higher than 40 K is a key challenge in the field of high-temperature superconductivity, mainly due to lack of efficient and effective models to…
In steels and single-crystal superalloys the control of the formation of topologically close-packed (TCP) phases is critical for the performance of the material. The structural stability of TCP phases in multi-component transition-metal…
Basis set convergence of correlation effects on molecular atomization energies beyond the CCSD (coupled cluster with singles and doubles) approximation has been studied near the one-particle basis set limit. Quasiperturbative connected…
As chiplet-based integration advances, designers must select among short-reach die-to-die interconnect technologies with widely varying shoreline and areal bandwidth density, energy per bit, reach, and raw bit error rate (BER). Meeting…
We have studied the body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) phases of Fe alloyed with 25 at. % of Ni at Earth's core conditions using an ab initio local density approximation + dynamical…
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…
Energy-energy correlators (EECs) provide a sensitive probe of both perturbative and nonperturbative dynamics in relativistic heavy-ion collisions. Jet-medium interactions enhance particle multiplicity within the jet cone, which must be…
Using the method of the effective potential of quantum field theory, we compute the quantum corrections to the phase diagram of systems with competing order parameters. This is specially useful to study metallic systems with competing…
Given the growing significance of 2D materials in various optoelectronic applications, it is imperative to have simulation tools that can accurately and efficiently describe electron correlation effects in these systems. Here, we show that…
Tunable optical materials are indispensable elements in modern optoelectronics, especially in integrated photonics circuits where precise control over the effective refractive index is essential for diverse applications. Two-dimensional…
The future of high-precision electroweak physics lies in e+e- collider measurements of properties of the Z boson, the W boson, the Higgs boson, and the top quark. We estimate the expected performance of three possible future colliders: the…
An extensive analysis has been carried out of the performance of standard families of basis sets with the hierarchy of coupled cluster methods CC2, CCSD, CC3 and CCSDT in computing selected Oxygen, Carbon and Nitrogen K-edge (vertical) core…
We present a jet-free approach for measuring energy-energy correlators (EEC) in proton-proton (pp) collisions at the Large Hadron Collider (LHC), employing an event-topology method that does not rely on explicit jet reconstruction. Using…
We report on the calculation of the factorisable one-loop weak-interaction corrections to the initial and final states for three-jet observables in electron-positron annihilations. We show that such corrections are of a few percent at…