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.
Isotope shift in the electron affinity of lithium.
Very accurate electron affinity (EA) calculations of (6)Li and (7)Li (and (infinity)Li) have been performed using explicitly correlated Gaussian functions and a variational approach that explicitly includes the nuclear motion in the calculations (i.e., the approach that does not assume the Born-Oppenheimer approximation). The leading relativistic and quantum electrodynamics corrections to the electron affinities were also calculated. The results are the most accurate theoretical values obtained for the studied systems to date. Our best estimates of the (7)Li and (6)Li EAs are 4984.9842(30) and 4984.9015(30) cm(-1), respectively, and of the (7)Li/(6)Li EA isotope shift is 0.0827 cm(-1).
17 &mgr;m pixel 640 x 480 microbolometer FPA development at BAE Systems
BAE Systems has developed an advanced 640 x 480 focal plane array (FPA) with a 17 &mgr;m pixel pitch. Sensitivity of ≤ 50 mK was demonstrated and the FPAs were used in imaging demonstrations. Successful scaling of BAE Systems' patented single contact per pixel, single-level microbolometer process to 17 &mgr;m pitch provides a path toward next generation microbolometer imaging systems.