An algorithm for calculating atomic D states with explicitly correlated gaussian functions.
An algorithm for the variational calculation of atomic D states employing n-electron explicitly correlated gaussians is developed and implemented. The algorithm includes formulas for the first derivatives of the hamiltonian and overlap matrix elements determined with respect to the gaussian nonlinear exponential parameters. The derivatives are used to form the energy gradient which is employed in the variational energy minimization. The algorithm is tested in the calculations of the two lowest D states of the lithium and beryllium atoms. For the lowest D state of Li the present result is lower than the best previously reported result.
Matrix elements of explicitly correlated Gaussian basis functions with arbitrary angular momentum.
A new algorithm for calculating the Hamiltonian matrix elements with all-electron explicitly correlated Gaussian functions for quantum-mechanical calculations of atoms with arbitrary angular momentum is presented. The calculations are checked on several excited states of three and four electron systems. The presented formalism can be used as unified framework for high accuracy calculations of properties of small atoms and molecules.
Climatology of the cusp-related thermospheric mass density anomaly, as derived from CHAMP observations
We report on the thermospheric mass density anomaly in the vicinity of the ionospheric cusp. A systematic survey of the anomalies is presented, based on a statistical analysis of 4 years of data (2002–2005) obtained by the accelerometer onboard CHAMP. The anomalies are detected during all years and seasons in both hemispheres but with stronger signatures in the Northern Hemisphere. For the same geophysical conditions, solar flux and geomagnetic activity the anomalies in the north are larger by a factor of about 1.35. Over the course of the survey period the amplitude decreases by more than a factor of 5 while the level of solar flux reduces by a factor of 2. The anomaly strength also depends on the solar wind input. The merging electric field, E merg , is generally enhanced for about an hour before the anomaly detection. There is a quadratic response of the anomaly amplitude to E merg . For geophysical conditions of P10.7 E merg E merg , where the weight of E merg , in mV/m, is by about 50 times higher than that of the solar flux level. The solar zenith angle and the influence of particle precipitation are found to play a minor role as a controlling parameter of seasonal variation. The well-known annual variation of the thermospheric density with a minimum around June also influences the formation of the cusp anomalies. This leads to a clear hemispheric asymmetry with very weak anomalies in the south during June solstice, which is supposed to be a combined effect of the minimum in annual variation and the seasonal decrease of solar insolation in this region.