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Low-energy electron collisions with O$_2$ molecules are studied using the fixed-bond R-matrix method. In addition to the O$_2$ ${X}^3\Sigma_{g}^-$ ground state, integrated cross sections are calculated for elecron collisions with the…

Chemical Physics · Physics 2008-12-18 Motomichi Tashiro , Keiji Morokuma , Jonathan Tennyson

Electronic excitations and ionisations produced by electron impact are key processes in the radiation-induced damage mechanisms in materials of biological relevance, underlying important medical and technological applications, including…

Chemical Physics · Physics 2021-08-04 Pablo de Vera , Isabel Abril , Rafael Garcia-Molina

Calculations of various corrections to the g factor of Li-like ions are presented, which result in a significant improvement of the theoretical accuracy in the region Z = 6-92. The configuration-interaction Dirac-Fock method is employed for…

Atomic Physics · Physics 2007-05-23 D. A. Glazov , V. M. Shabaev , I. I. Tupitsyn , A. V. Volotka , V. A. Yerokhin , G. Plunien , G. Soff

We reconsider magnetic properties of fcc and hcp cobalt within the density functional theory plus dynamical mean-field theory (DFT+DMFT) approach in the paramagnetic phase. Using recently proposed approach of calculation of exchange…

Strongly Correlated Electrons · Physics 2024-01-03 A. A. Katanin

High precision physics at future colliders as the International Linear Collider (ILC) require unprecedented high precision in the determination of the energy of final state particles. The needed precision will be achieved thanks to the…

Instrumentation and Detectors · Physics 2018-02-27 Adrián Irles

We describe the effect that new atomic calculations, including fully-relativistic R-matrix calculations of collisional excitation rates and level-specific dielectronic and radiative recombination rates, have on line ratios from the…

High Energy Astrophysical Phenomena · Physics 2010-06-04 Randall K. Smith , Guo-Xin Chen , Kate Kirby , Nancy S. Brickhouse

In this work, we investigate the synergy between supervised fine-tuning (SFT) and reinforcement learning (RL) in developing strong reasoning models. We begin by curating the SFT training data through two scaling strategies: increasing the…

Computation and Language · Computer Science 2025-06-17 Zihan Liu , Zhuolin Yang , Yang Chen , Chankyu Lee , Mohammad Shoeybi , Bryan Catanzaro , Wei Ping

Results of detailed simulations of the charge transfer inefficiency of a prototype CCD chip are reported. The effect of radiation damage in a particle detector operating at a future accelerator is studied by examining two electron trap…

We report measured rate coefficients for electron-ion recombination for Si10+ forming Si9+ and for Si9+ forming Si8+, respectively. The measurements were performed using the electron-ion merged-beams technique at a heavy-ion storage ring.…

The critical behavior of the order-disorder phase transition in the buckled dimer structure of the Si(001) surface is investigated both theoretically by means of first-principles calculations and experimentally by spot profile analysis…

We present a study of dissociative electron attachment and vibrational excitation processes in electron collisions with the CF$_3$Cl molecule. The calculations are based on the two-dimensional nuclear dynamics including the C-Cl symmetric…

Chemical Physics · Physics 2011-12-09 Michal Tarana , Karel Houfek , Jiří Horáček , Ilya I. Fabrikant

The previously developed technique for evaluation of charge-transfer and electron-excitation processes in low-energy heavy-ion collisions [I.I. Tupitsyn et al., Phys. Rev. A 82, 042701(2010)] is extended to collisions of ions with neutral…

The magnetic-dipole transition probabilities between the fine-structure levels (1s^2 2s^2 2p) ^2P_1/2 - ^2P_3/2 for B-like ions and (1s^2 2s 2p) ^3P_1 - ^3P_2 for Be-like ions are calculated. The configuration-interaction method in the…

We have been testing the theory used to calculate internal-conversion coefficients (ICCs) by making a series of measurements of alpha_K values with precision better than +/-2%. So far we have measured E3 transitions in three nuclei, 103Rh,…

Nuclear Experiment · Physics 2017-06-01 J. C. Hardy , N. Nica , V. E. Iacob , M. B. Trzhaskovskaya

Magnetic moments of bound-electron systems are a sensitive tool for testing fundamental interactions. $g$ factors of lithium-like ions have been rigorously studied in recent years, enabling insights into the relativistic inter-electronic…

A qualitative and quantitative comparison of the recent GSI measurements of the nuclide yields from 208Pb and 238U at 1 GeV/nucleon and 197Au at 800 MeV/nucleon interactions with protons with the codes LAHET (with both ISABEL and Bertini…

Material systems with Dirac electrons on a bipartite planar lattice and possessing superconducting and excitonic interactions are investigated both in the half-filling and doped regimes at zero temperature. Excitonic pairing is the analog…

Mesoscale and Nanoscale Physics · Physics 2020-10-05 Lizardo H. C. M. Nunes , Ricardo L. S. Farias , Eduardo C. Marino

Symmetry conserving density functional theory (DFT) based no-core-configuration-interaction framework (DFT-NCCI) is an excellent tool for precision calculation of diverse (pseudo-)observables related to isospin symmetry breaking from…

Nuclear Theory · Physics 2023-08-08 W. Satula , M. A. Bentley , A. Jalili , S. Uthayakumaar

Calibrating the strength of the light-matter interaction is an important experimental task in quantum information and quantum state engineering protocols. The strength of the off-resonant light-matter interaction in multi-atom spin…

Controlling electrochemical reactivity requires a detailed understanding of the charging behavior and thermodynamics of the electrochemical interface. Experiments can independently probe the overall charge response of the electrochemical…

Chemical Physics · Physics 2022-03-10 Abhishek Shandilya , Kathleen Schwarz , Ravishankar Sundararaman