https://doi.org/10.1007/s100530050375
Maximum-entropy technique with logarithmic constraints: Estimation of atomic radial densities
1
Instituto Carlos I de Física Teórica y
Computacional, Universidad de Granada, 18071-Granada, Spain
2
Departament d'Enginyeria Agroforestal, ETSEA, Universitat de
Lleida, 25006-Lleida, Spain
Received:
23
November
1998
Revised:
20
May
1999
Published online: 15 December 1999
Maximum-entropy (ME) approximations to density functions involving logarithmic constraints are studied. It is proved the existence and uniqueness of the ME approximation constrained by the normalization, the geometric mean and (i) a moment of arbitrary order, or (ii) the logarithmic uncertainty. A numerical analysis of the accuracy of these ME approximations is carried out for the radial electron densities of neutral atoms in both position and momentum spaces.
PACS: 31.10.+z – Theory of electronic structure, electronic transitions, and chemical binding / 31.15.-p – Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations)
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 1999
