相关论文: Modelling Electron Transfers Using Quasidiabatic H…
We present a microscopic calculation of multi-nucleon transfer reactions employing the time-dependent Hartree-Fock (TDHF) theory. In our previous publication [Phys. Rev. C 88, 014614 (2013)], we reported our analysis for the multi-nucleon…
For interacting electrons in solids, Heisenberg's equation is used to calculate the distribution in energy of transitions induced by adding an electron to an atomic-like spin orbital. This is the projected density of transitions which…
The ab initio quasirelativistic Hartree-Fock method developed specifically for the calculation of spectral parameters of heavy atoms and highly charged ions is used to derive transition data for multicharged tungsten ion. The configuration…
We consider the Hubbard model for electrons in a two-dimensional quasiperiodic tiling using the Hartree--Fock approximation. Numerical solutions are obtained for the first three square approximants of the perfect octagonal tiling. At…
The reaction mechanism of deep-inelastic multinucleon transfer processes in the $^{16}$O+$^{27}$Al reaction at an incident $^{16}$O energy ($E_{\rm lab}=134$ MeV) substantially above the Coulomb barrier has been studied both experimentally…
This study considers electronic transitions within donor-acceptor complexes dissolved in media with macroscopic polarization. The change of the polarizability of the donor-acceptor complex in the course of electronic transition couples to…
In antecedent experiments the electron screening energies of the d+d reactions in metallic environments have been determined to be enhanced by an order of magnitude in comparison to the case of gaseous deuterium targets. The analytical…
The spherical Hartree-Fock approximation is applied to the $abinitio$ no-core shell model, with a realistic effective nucleon-nucleon interaction in order to investigate the range of its utility. Hartree-Fock results for binding energies,…
Long-distance transfer of quantum states is an indispensable part of large-scale quantum information processing. We propose a novel scheme for the transfer of two-electron entangled states, from one edge of a quantum dot array to the other…
We present a time-dependent localized Hartree-Fock density-functional linear response approach for the treatment of photoionization of atomic systems. This approach employs a spin-dependent localized Hartree-Fock (SLHF) exchange potential…
Processes that break molecular bonds are typically observed with molecules occupying a mixture of quantum states and successfully described with quasiclassical models, while a few studies have explored the distinctly quantum mechanical…
We analyze the dynamics of a paramagnetic, dipolar molecule in a generic "magneto-electrostatic'' trap where both magnetic and electric fields may be present. The potential energy that governs the dynamics of the molecules is found using a…
We consider a polaron model where molecular \emph{rotations} are important. Here, the usual hopping between neighboring sites is affected directly by the electron-phonon interaction via a {\em twist-dependent} hopping amplitude. This model…
We study a three-dimensional Anderson-Hubbard model under the coexistence of short-range interaction and diagonal disorder within the Hartree-Fock approximation. We show that the density of states at the Fermi energy is suppressed in the…
A new computational scheme to analyze electron transfer (ET) pathways in large biomolecules is presented with applications to ETs in bacterial photosynthetic reaction center. It consists of a linear combination of fragment molecular…
A first-principles coupled electron-nuclear dynamics simulation based on real-time, time-dependent density functional theory and Ehrenfest dynamics quantitatively repro-duces bimodal translational energy loss and angular distributions…
Quantum cascade lasers can be modeled within a hierarchy of different approaches: Standard rate equations for the electron densities in the levels, semiclassical Boltzmann equation for the microscopic distribution functions, and quantum…
We investigate the well-known Shin-Metiu model for an electronic crossing, using both a standard Born-Huang (BH) framework and a novel phase space (PS) electronic Hamiltonian framework. We show that as long as we are not in the strongly…
We determine the ground state of the two-dimensional, fully polarized electron gas within the Hartree-Fock approximation without imposing any particular symmetries on the solutions. At low electronic densities, the Wigner crystal solution…
We study paramagnetic - ferromagnetic transition due to exchange interaction between classical localized magnetic moments and conduction electrons. We formulate the Dynamical Mean Field Approximation equations for arbitrary electron…