Correlation corrections based on the Schrödinger equation with a local potential

A compromise version of calculation of the ground state electronic energy is proposed that combines both the density functional theory and the wave function formalism. Single-particle orbitals and energies are determined by solving the Kohn-Sham equations with a local effective potential, which depends on the parameters determined by the variational principle. Correlation corrections are calculated using the Rayleigh-Schrödinger perturbation theory in the zero-order approximation of the Möller-Plesset theory. The specific features of the expressions for the corrections to the wave function and the energy determined in terms of the Kohn-Sham orbitals are considered. This approach, in contrast to the well-known optimized effective potential method, can be applied with equal computational expenditures to both atoms and molecules. A comparative analysis for 20 helium-like atoms showed that the scheme proposed provides better agreement with the “exact” values of the energy in the second order of the perturbation theory in comparison with the results obtained using the conventional exchange-correlation potentials BLYP and PW91. A similar trend is also observed for diatomic hydrides (from LiH to FH), although, in contrast to the atoms, the deviations from the experimental estimates of the energy are less systematic.     

On irreversibility of von Neumann additive cellular automata on grids

The von Neumann cellular automaton appears in many different settings in Operations Research varying from applications in Formal Languages to Biology. One of the major questions related to it is to find a general condition for irreversibility of a class of two-dimensional cellular automata on square grids (σ⁺-automata). This question is partially answered here with the proposal of a sufficient condition for the irreversibility of σ⁺-automata.     

High-pressure effect on the crystal and magnetic structure of LuMnO3: Correlation between a distortion of the triangular lattice and the symmetry of the magnetic state in hexagonal frustrated manganites

The effect of a high pressure (up to 6 GPa) on the crystal and magnetic structure of the hexagonal manganite LuMnO₃ is studied by neutron diffraction in the temperature range 10–295 K. It is found that, as the pressure increases, the ordered magnetic moment of Mn ions at T = 10 K decreases noticeably from 2.48 (0 GPa) to 1.98 μ_B (6 GPa). This decrease is due to an enhancement of the geometrical frustration effects on the triangular lattice. At the same time, the symmetry of the triangular antiferromagnetic state (the irreducible representation Γ₂) remains unchanged. A correlation is revealed between the distortion parameter of the triangular lattice formed by Mn ions and the symmetry of the antiferromagnetic state of hexagonal manganites RMnO₃. Based on this correlation, a generalized magnetic phase diagram of these compounds is constructed. The obtained phase diagram provides an explanation for the changes observed in the magnetic state of hexagonal manganites caused by high pressure and chemical substitution.     

On the stability of the output characteristics of a grazing incidence grating dye laser transversely pumped by a copper vapor laser

The output characteristics of a high repetition rate pulsed dye laser has both short-term fluctuations and long-term drift. In high power high repetition rate lasers flow induced variations dominate over those due to other factors. In this paper it is shown by dye laser measurements that bandwidth fluctuations can be traced to the effective changes of the resonator dispersion due to fluctuations in the penetration depth of the pump beam in the dye medium. Short-term wavelength fluctuations can be traced to instantaneous deflection of the dye laser axis by the refractive index changes due to absorption of the pump beam. The fluctuations in both the bandwidth and the wavelength decreases with increasing flow rates within a laminar region. A copper vapor laser operating at 5.6 kHz repetition rate pumped the Rhodamine 6G dye laser used. The wavelength fluctuation of ±0.0035, 0.0030, 0.0004 nm and the bandwidth fluctuation of ±710, 132, 45 MHz over approx. 60 minutes were observed at 1.2, 3.7, 5.5 lpm flow rates respectively.     

The measurement of beta asymmetries at UNISOR/NOF using external plastic scintillator detectors

The performance of two external plastic scintillator detectors has been tested in an off-line mode using a source of¹⁰⁶RuFe at UNISOR/NOF. The measurement of beta asymmetries at various temperatures has resulted in the reproduction of the previously-determined magnetic dipole moment for the 1⁺ ground state of¹⁰⁶Rh and in addition the conclusion that the sign of this moment is positive.     

Nonlinear magneto-optical diffraction by two-dimensional magnetic superstructures

Nonlinear (at the second-harmonic frequency of the incident light) optical reflection by two-dimensional magnetic superstructures is theoretically studied. A square lattice of magnetic dots and a hexagonal lattice of magnetic bubbles (cylindrical magnetic domains) are considered. Because the periods of these structures are comparable with the wavelengths of the fundamental and the second-harmonic radiation, it would be possible to observe diffraction at the second-harmonic frequency. A polarization analysis of nonlinearly diffracted radiation is performed and the numbers of observable diffraction orders for the above structures are estimated. Received: 10 January 2002 / Published online: 11 June 2002     

Mechanism of detachment of particles from the surface of high-temperature superconducting targets absorbing laser pulses

A cluster mechanism is considered for the detachment of particles when the surface of a high-temperature superconducting target absorbs laser pulses. By proposing a fractal nature for the surface, one can model it as an assembly of a large number of nonlinear oscillators (clusters). Utilizing the method of sudden perturbations, a calculation was made of the probability of dissociation of these oscillators, i.e., of the detachment of clusters from the surface. The calculated probability decreases rapidly as the power density of the laser radiation is reduced to some limiting value. This is in agreement with experiments. State Institute of Sensory Microelectronics. Siberian Branch of the Russian Academy of Sciences. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 6, pp. 73–77, June, 1997.     

Calculation of current fields in a shallow lake

Translated from Issledovaniya po Prikladnoi Matematike, No. 16, pp. 69–74, 1989.     

Mutual coupling of elements in finite microstrip antennas

The mutual coupling of the radiating elements in microstrip antennas is studied using a rigorous electrodynamic approach in which the field singularities at the radiator edges are taken into account with analytic accuracy. A spectral method is employed in combination with a method of semi-inversion by extraction of the Green-function singularity. The degree of interaction of the elements of microstrip structures at the fundamental and higher current harmonicsis determined, and the applicability of various approximations is assessed.Radio-Astronomy Institute, Academy of Sciences of Ukraine. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Radiofizika, Vol. 35, No. 8, pp. 688–701, August, 1992.