相关论文: Exchange splitting of the interaction energy and t…
An extension of time-dependent covariant density functional theory that includes particle-vibration coupling is applied to the charge-exchange channel. Spin-dipole excitation spectra are calculated an compared to available data for…
The exchange interaction between 5d electrons in t$_{2g}$ orbitals is derived in the J-J coupling scheme which is the appropriate basis in the case of strong spin-orbit interaction. From simple calculations, it is found that ferromagnetic…
Using a symmetry-preserving formulation of a vector$\,\times\,$vector contact interaction (SCI) and treating the proton as a quark + interacting-diquark bound state, whose structure is obtained by solving a Poincar\'e-covariant Faddeev…
The dissipative mechanism in weakly collisional plasma is a topic that pervades decades of studies without a consensus solution. We compare several energy dissipation estimates based on energy transfer processes in plasma turbulence and…
Exchange couplings are calculated for Li2VOSiO4 using LDA. While the sum of in-plane couplings J_1 + J_2 = 9.5 \pm 1.5 K and the inter-plane coupling J_{perp} \sim 0.2 - 0.3 K agree with recent experimental data, the ratio J_2/J_1 \sim 12…
We compute the probability distribution for collisional energy loss of an ultrarelativistic parton crossing a quark-gluon plasma. This collisional quenching weight has not been determined previously, unlike the average collisional loss per…
The introduction of the infinite boundary terms and the pairwise interactions [J. Chem. Theory Comput., 10, 5254, (2014)] enables a physically intuitive approach for deriving electrostatic energy and pressure for both neutral and…
A method for increasing the accuracy of configuration interaction (CI) calculations of molecules and other electronic systems is proposed. The energy defect of a given calculation is associated with the electron pair origin of…
General formulas for calculating the several leading long-range interactions among three identical atoms where two atoms are in identical $S$ states and the other atom is in a $P$ state are obtained using perturbation theory for the…
We propose exchanging the energy functionals in ground-state DFT with physically equivalent exact force expressions as a new promising route towards approximations to the exchange-correlation potential and energy. In analogy to the usual…
We investigate the exchange effect between the final atom's bound electrons and those emitted in the allowed $\beta$-decay of the initial nucleus. The electron wave functions are obtained with the Dirac-Hartree-Fock-Slater self-consistent…
We consider the spin-exchange in ultracold collisions of hydrogen ($H$) and antihydrogen ($\bar{H}$) atoms. The cross sections for transitions between various hyperfine states are calculated. We show that the process of spin exchange in…
We use the multipole technique to derive four equivalent expressions for the bipolar expansion of the inverse distance, valid in all the regions of configuration space. Using the first-order perturbation theory, we calculate the overlap…
The derivative discontinuity in the exact exchange-correlation potential of ensemble Density Functional Theory (DFT) is investigated at the specific integer number that corresponds to the maximum number of bound electrons, $J_{max}$. A…
Various hydrodynamic models of the heliospheric interface have been presented meanwhile, numerically simulating the interaction of the solar wind plasma bubble with the counterstreaming partially ionized interstellar medium. In these model…
Intramolecular symmetry-adapted perturbation theory (ISAPT) is a method to compute and decompose the noncovalent interaction energy between two molecular fragments A and B connected via a linker C. The existing ISAPT algorithm displays…
We present first-principles calculations of the rate of energy exchanges between electrons and ions in nonequilibrium warm dense plasmas, liquid metals and hot solids, a fundamental property for which various models offer diverging…
We study the statistics of heat exchange of a quantum system that collides sequentially with an arbitrary number of ancillas. This can describe, for instance, an accelerated particle going through a bubble chamber. Unlike other approaches…
We revisit the question of the contributions of two-photon exchange with $\Delta(1232)$ excitation to the electron-proton scattering in a hadronic model. Three improvements over the previous calculations are made, namely, correct vertex…
We calculate the density-dependent spin-isospin asymmetry energy $J(k_f)$ of nuclear matter in the three-loop approximation of chiral perturbation theory. The interaction contributions to $J(k_f)$ originate from one-pion exchange, iterated…