Effective collision strengths for transitions in Fe X

Collision strengths for 4005 transitions among the lowest 90 levels of the (1s(2)2s(2)2p(6)) 3s(2)3p(5), 3s3p(6), 3s(2)3p(4)3d, 3s3p(5)3d and 3s(2)3p(3)3d(2) configurations of Fe X have been calculated using the Dirac Atomic R-matrix Code (DARC) of Norrington & Grant, over a wide energy range up to 210 Ryd. Resonances have been resolved in the threshold region, and effective collision strengths have been obtained over a wide temperature range up to 107 K. The present calculations should represent a significant improvement ( in both range and accuracy) over the earlier available results of Bhatia & Doschek and Pelan & Berrington. Based on several comparisons, the accuracy of our data is assessed to be better than 20%, for a majority of transitions.

Radiative rates, collision strengths and effective collision strengths for transitions in Mo XXXIV

Radiative rates for electric dipole (E I), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) transitions among the lowest 60 fine-structure levels of the (1s(2)) 2S(2)2p(5), 2s2p(6), and 2S(2)2p(4)3l configurations of F-like Mo XXXIV have been calculated using the fully relativistic GRASP code. Additionally, collision strengths for transitions among these levels have been computed over a wide energy range below 3200Ry, using the Dirac Atomic R-matrix Code. Resonances have been resolved in a fine energy mesh in order to calculate the effective collision strengths. Results for radiative rates and excitation rates are presented for all transitions, and for collision strengths for transitions from the lowest three levels to the higher lying levels. The accuracy of the present data is assessed to be similar to 20%.

Radiative rates for E1, E2, M1 and M2 transitions in Fe X

Energies of the 54 levels belonging to the (1s(2)2s(2)2p(6)) 3s(2)3p(5), 3s3p(6), 3s(2)3p(4)3d and 3s3p(5)3d configurations of Fe X have been calculated using the GRASP code of Dyall et al. (1989). Additionally, radiative rates, oscillator strengths, and line strengths are calculated for all electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) transitions among these levels. Comparisons are made with results available in the literature, and the accuracy of the data is assessed. Our energy levels are estimated to be accurate to better than 3%, whereas results for other parameters are probably accurate to better than 20%. Additionally, the agreement between measured and calculated lifetimes is better than 10%.

Excitation rates for transitions in Ca XV

Collision strengths for transitions among the energetically lowest 46 fine-structure levels belonging to the (1s(2)) 2s(2)2p(2), 2s2p(3), 2p(4), and 2s(2)2p3l configurations of Ca XV are computed, over a wide electron energy range below 300 Ryd, using the Dirac Atomic R-matrix Code (DARC) of Norrington & Grant (2003). Resonances in the threshold region have been resolved in a fine energy mesh, and excitation rates are determined over a wide electron temperature range below 10(7) K. The results are compared with those available in the literature, and the accuracy of the data is assessed.

Effective collision strengths for transitions in Fe XI

Collision strengths for transitions among the lowest 48 fine- structure levels belonging to the (1s(2)2s(2)2p(6)) 3s(2)3p(4), 3s3p(5), 3s(2)3p(3)3d and 3p(6) configurations of Fe XI have been calculated using the Dirac Atomic R-matrix Code (DARC) of Norrington & Grant (2003). Results are tabulated at energies above thresholds in the range 10 less than or equal to E less than or equal to 100 Ry, although resonances have been resolved in a fine energy mesh in the thresholds region. Effective collision strengths, obtained after integrating the collision strengths over a Maxwellian distribution of electron velocities, are also tabulated over a wide electron temperature range below 5 x 10(6) K. Comparisons with other available results are made, and the accuracy of the present data is assessed.

Radiative rates for transitions in Fe XVII

Energies of the lowest 157 levels belonging to the (1s(2)) 2s(2)2p(6), 2s(2)p(5)3l, 2s(2)2p(5)4l, 2s(2)2p(5)4l, 2s2p(5)5l, 2s2p(6)4l and 2s2p(6)5l configurations of Fe XVII have been calculated using the GRASP code of Dyall et al. (1989). Additionally, radiative rates, oscillator strengths, and line strengths are calculated for all electric dipole (E I), magnetic dipole (M I), electric quadrupole (E2), and magnetic quadrupole (M2) transitions among these levels. Comparisons are made with the results already available in the literature, and the accuracy of the data is assessed. Our energy levels are expected to be accurate to better than M whereas results for other parameters are probably accurate to better than 20%.

Radiative rates, collision strengths and effective collision strengths for transitions in Gd XXXVII

Energy levels and radiative rates for transitions among 107 fine-structure levels belonging to the (1s(2)2S(2)p(6)) 3S(2)3p(6)3d(10), 3S(2)3p(6)3d(9)4e. 3S(2)3p(5)3d(10)4e. and 3s3p(6)3d(10)4e configurations of Ni-like Gd XXXVII have been calculated using the fully relativistic GRASP code. Radiative rates and oscillator strengths are tabulated for all allowed transitions among these levels. Additionally. collision strengths for transitions among the lowest 59 levels have been computed using the Dirac Atomic R-matrix Code. Resonances in the threshold region have been delineated, but results for collision strengths are tabulated only at energies above thresholds in the range 120

Effective collision strengths for transitions in Fe XV

Collision strengths for transitions among the energetically lowest 53 fine-structure levels belonging to the (1s(2)2s(2)2p(6)) 3l(2), 3l3l', 3s4l and 3p4s configurations of Fe XV are computed, over an electron energy range below 160 Ryd, using the Dirac Atomic R-matrix Code (DARC) of Norrington & Grant (2003). Effective collision strengths, obtained after integrating the collision strengths over a Maxwellian distribution of electron energies, have also been calculated. These results of effective collision strengths are tabulated for all 1378 inelastic transitions over a wide temperature range of 10(5) to 10(7) K. Comparisons are also made with other R-matrix calculations and the accuracy of the results is assessed.

Oscillator strengths for transitions in C-like ions between K XIV and Mn XX

Energy levels and oscillator strengths (transition probabilities) have been calculated for transitions among 46 fine-structure levels of the (1s(2)) 2s(2) 2p(2), 2s2p(3),2p(4), 2s(2)2p3s, 2s(2) 2p3p and 2s(2)2p3d configurations of C-like K XIV, Sc XVI, Ti XVII, V XVIII, Cr XIX and Mn XX using the GRASP code. Configuration interaction and relativistic effects have been included while generating the wavefunctions. Calculated values of energy levels agree within 3% with the experimentally compiled results, and the length and velocity forms of oscillator strengths agree within 20% for a majority of allowed transitions.

Oscillator strengths for transitions in C-like ions between FIV and Ar XIII

Energy levels and oscillator strengths (transition probabilities) have been calculated for the fine-structure transitions among the levels of the (1s(2)) 2s(2)2p(2), 2s2p(3), 2p(4), 2s(2)2p3s, 2s(2)2p3p, and 2s(2)2p3d configurations of C-like F IV, Na VI, Al VIII, P X, Cl XII, and Ar XIII using the CIV3 program. The extensive configuration interaction and relativistic effects have been included while generating the wavefunctions. Calculated values of energy levels generally agree within 5% with the experimentally compiled results, and the length and velocity forms of oscillator strengths agree within 20% for a majority of allowed transitions.

Energy levels and transition probabilities for nitrogen-like Fe xx

Energies of the 700 lowest levels in Fe XX have been obtained using the multiconfiguration Dirac-Fock method. Configuration interaction method on the basis set of transformed radial orbitals with variable parameters taking into account relativistic corrections in the Breit-Pauli approximation was used to crosscheck our presented results. Transition probabilities, oscillator and line strengths are presented for electric dipole (E1), electric quadrupole (E2) and magnetic dipole (M1) transitions among these levels. The total radiative transition probabilities from each level are also provided. Results are compared with data compiled by NIST and with other theoretical work.

Energy levels and radiative rates for Li-like Ar XVI and Fe XXIV

Energy levels for transitions among the lowest 24 fine- structure levels belonging to the 1s(2)nl(n greater than or equal to 5) configurations of Li-like Ar XVI and Fe XXIV have been calculated using the fully relativistic GRASP code. Oscillator strengths, radiative rates and line strengths have also been generated among these levels for the four types of transitions: electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2) and magnetic quadrupole (M2). Comparisons are made for the electric dipole transitions with other available results, and the accuracy of the present data is assessed.

A reactive force field simulation of liquid-liquid phase transitions in phosphorus

A force field model of phosphorus has been developed based on density functional (DF) computations and experimental results, covering low energy forms of local tetrahedral symmetry and more compact (simple cubic) structures that arise with increasing pressure. Rules tailored to DF data for the addition, deletion, and exchange of covalent bonds allow the system to adapt the bonding configuration to the thermodynamic state. Monte Carlo simulations in the N-P-T ensemble show that the molecular (P-4) liquid phase, stable at low pressure P and relatively low temperature T, transforms to a polymeric (gel) state on increasing either P or T. These phase changes are observed in recent experiments at similar thermodynamic conditions, as shown by the close agreement of computed and measured structure factors in the molecular and polymer phases. The polymeric phase obtained by increasing pressure has a dominant simple cubic character, while the polymer obtained by raising T at moderate pressure is tetrahedral. Comparison with DF results suggests that the latter is a semiconductor, while the cubic form is metallic. The simulations show that the T-induced polymerization is due to the entropy of the configuration of covalent bonds, as in the polymerization transition in sulfur. The transition observed with increasing P is the continuation at high T of the black P to arsenic (A17) structure observed in the solid state, and also corresponds to a semiconductor to metal transition. (C) 2004 American Institute of Physics.