J. Oreg et al., OPERATOR TECHNIQUE FOR CALCULATING SUPERCONFIGURATION-AVERAGED QUANTITIES OF ATOMS IN PLASMAS, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 55(5), 1997, pp. 5874-5882
An operator technique for performing superconfiguration averages is pr
esented. This technique is applicable in the calculation of local ther
modynamic equilibrium (LTE) spectral moments as well as average rates
for the various atomic processes in non-LTE collisional radiative mode
ls. It is shown that for any moment or rate the configuration average
polynomials, in the shell occupation numbers, can be regarded as deriv
ative operators that average over superconfigurations when acting on t
heir corresponding partition functions. The superconfiguration-average
d quantities are obtained as generalized partition functions for which
a set of recursion formulas is presented allowing a short calculation
path. Using this technique, analytic expressions for thermodynamical
quantities, such as internal energy and specific heat, are obtained, t
aking into account orbital relaxation and first-order energies in the
Boltzmann factors. This allows for the supertransition array code to y
ield accurate and consistent data for the equation of state used in hy
drodynamic simulations, in addition to radiative properties.