Related papers: Potential energy surface of the 2A' Li2+Li doublet…
We investigate the resonance-enhanced few-photon ionization of atomic lithium by linearly polarized light whose frequency is tuned near the 2s-2p transition. Considering the direction of light polarization orthogonal to the quantization…
The electronic and geometric properties of bulk fcc delta-plutonium and the quantum size effects in the surface energies and the work functions of the (001) ultra thin films (UTF) up to 7 layers have been investigated with periodic density…
The ground state energy of the 2-D Wigner crystal is determined as a function of the thickness of the electron layer and the crystal structure. The method of evaluating the exchange-correlation energy is tested using known results for the…
The computation of strongly correlated quantum systems is challenging because of its potentially exponential scaling in the number of electron configurations. Variational calculation of the two-electron reduced density matrix (2-RDM)…
Calculations for two electrons in an elliptic quantum dot, using symmetry breaking at the unrestricted Hartree-Fock level and subsequent restoration of the broken parity via projection techniques, show that the electrons can localize and…
Double and triple ionization spectra of isocyanic acid have been measured using multi-electron and ion coincidence techniques combined with synchrotron radiation and compared with high-level theoretical calculations. Vertical double…
Analytical formulas for the excitation energies as well as for the electric quadrupole reduced transition probabilities in the ground, beta and gamma bands were derived within the coherent state model for the near vibrational and well…
We calculate the quartet potential energy surface for Li+NH and use it to calculate elastic and spin-relaxation cross sections for collisions in magnetically trappable spin-stretched states. The potential is strongly anisotropic but…
We present a simple and non-empirical method to determine optimal scaling coefficients, within the (spin-component)-scaled MP2 approach, for calculating intermolecular potential energies of noncovalently-interacting systems. The method is…
We report on the realization of an ultracold mixture of lithium atoms in the ground state and ytterbium atoms in the excited metastable 3P2 state. Such a mixture can support broad magnetic Feshbach resonances which may be utilized for the…
We investigate the effects of lithium intercalation in twisted bilayers of graphene, using first-principles electronic structure calculations. To model this system we employ commensurate supercells that correspond to twist angles of…
Using density functional theory with the generalized gradient approximation and ultra-soft pseudo-potentials, we have calculated structural relaxations of the Cu(532) surface which contains steps and kinks. We find the relaxation pattern to…
The photodisintegration of the 6Li nucleus through the channels 3He3H, 4He2H and the corresponding radiative capture are considered in simple two-cluster models. Potentials with forbidden states which reproduce the phase shifts of elastic…
The ground state energy and the lowest excitations of a two dimensional Wigner crystal in a perpendicular magnetic field with one and two electrons per cell is investigated. In case of two electrons per lattice site, the interaction of the…
Some present day results for few-nucleon bound state, two-nucleon correlation functions and scattering observables are briefly reviewed. The old idea of the Coulomb sum rule as a way to extract the pp correlation function is reconsidered.…
We develop a theory for the compressibility of the surface states of 3D topological insulators and propose that surface probes of the compressibility via scanning single electron transistor microscopy will be a straightforward way to access…
We use complementary optical spectroscopy methods to directly measure the lowest crystal-field energies of the rare-earth quantum magnet LiY$_{1-x}$Ho$_{x}$F$_{4}$, including their hyperfine splittings, with more than 10 times higher…
Formulas and expectation values which are need to determine the lowest-order QED corrections ($\sim \alpha^3$) and corresponding recoil (or finite mass) corrections in the two-electron helium-like ions are presented. Other important…
We present extensive calculations of radiative transition rates and electron impact collision strengths for Fe II. The data sets involve 52 levels from the $3d\,^7$, $3d\,^64s$, and $3d\,^54s^2$ configurations. Computations of $A$-values…
We discuss recent progress of understanding the phenomena observed in high Tc cuprates by studying the d-wave resonating-valence-bond (d-RVB) based trial wave functions for the 2-dimensional t-J-type models. Treat exactly the strong…