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Directional And Dynamic Variations Ofauroral Power Spectra Related To The Ionospheric Electron Drift Velocity, E. Nielsen, C. I. Haldoupis, Bela G. Fejer, H. M. Ierkic
Directional And Dynamic Variations Ofauroral Power Spectra Related To The Ionospheric Electron Drift Velocity, E. Nielsen, C. I. Haldoupis, Bela G. Fejer, H. M. Ierkic
Bela G. Fejer
Power spectral observations of auroral electron density fluctuations with a scale length of nearly 1 m have been made with the STARE system (Scandinavian twin auroral radar experiment). Simultaneous measurements of the mean radial Doppler velocities were used to derive estimates of the ionospheric electron drift velocity. The data were analyzed to determine the spectral dependence on the magnitude and direction of the electron drift velocity. The two spectral types, characterized as “narrow” and “broad,” were observed simultaneously from the same scattering volume. The width of the broad spectrum (up to about 1200 Hz) can be at least 3 times …
Ab Initio Study Of Fh–Ph3 And Clh–Ph3 Including The Effects Of Electron Correlation, Z. Latajka, Steve Scheiner
Ab Initio Study Of Fh–Ph3 And Clh–Ph3 Including The Effects Of Electron Correlation, Z. Latajka, Steve Scheiner
Chemistry and Biochemistry Faculty Publications
Ab initio calculations are carried out for FH–PH3 and ClH–PH3 using a basis set including two sets of polarization functions. Electron correlation is incorporated via Møller–Plesset perturbation theory to second and (in part) to third orders. The basis set is tested and found to produce satisfactory treatments of subsystem properties including geometries and dipole moments as well as the proton affinity and inversion barrier of PH3. Electron correlation is observed to markedly enhance the interaction between PH3 and the hydrogen halides. Its contribution to the complexation energy is 30% …
Effects Of Basis Set And Electron Correlation On The Calculated Properties Of The Ammonia Dimer, Z. Latajka, Steve Scheiner
Effects Of Basis Set And Electron Correlation On The Calculated Properties Of The Ammonia Dimer, Z. Latajka, Steve Scheiner
Chemistry and Biochemistry Faculty Publications
Ab initio calculations are carried out for (NH3)2 with a 6‐31G∗∗(1p,2d) basis set containing diffuse polarization functions. Electron correlation is included via second‐order Møller–Plesset perturbation theory (MP2). At the SCF level, the equilibrium R(NN) distance is 3.54 Å and the interaction energy is −2.35 kcal/mol. Inclusion of correlation enhances the attraction substantially, increasing the energy to −4.05 kcal/mol and reducing the intermolecular separation by 0.20 Å. Comparison with previous results at the SCF level demonstrates a variety of errors including exaggerated dipole moments, underestimation of polarization …