In the frame of the effective-operator technique applied to atomic hyperfine structure in the lNl' configurations, we have computed ab initio, by means of the MCHF method, the electronic hfs parameters relevant to the two-body far-configuration-mixing effects on the (3d 7 4F, 4S)3,5F terms of the iron atom. The comparison with the 13 values deduced from experimental measurements by Dembczyński (J. Physique 41 (1980) 109) is satisfactory, except for three of them. One of these discrepancies remains unexplained.Dans le cadre de l'application de la technique des opérateurs effectifs à la structure hyperfine atomique des configurations lNl', nous avons calculé par la méthode MCHF les paramètres électroniques hyperfins relatifs aux opérateurs ...
We are interested in complex electronic structures of various atomic and ionics systems. We use an a...
The electronic structure of the heme unit of deoxyhemoglobin including the proximal imidazole has be...
A historical review of the early development of Hartree-Fock and Multiconfiguration Hartree-Fock the...
The effect of SL-dependent configuration interaction (SL-CI) on the hyperfine structure of a complex...
The hyperfine properties of Fe57m in the diatomic iron molecule have been analyzed using the self-co...
The theoretical study of the hyperfine structure of the levels belonging to the group of configurati...
The effects of configuration interaction on hyperfine structure (hfs) are considered using second-or...
L'application des spectres Mössbauer à l'étude de l'état des atomes de fer dans les molécules biolog...
Recent multi-configuration Hartree-Fock (MCHF) calculations of atomic hyperfine structures are revie...
The paper discusses a theoretical model that associates the shape of the Mössbauer spectrum with the...
The magnetic hyperfine fields B-hf for the 4d and 5sp elements Rb through Xe at the substitutional s...
The electronic structure of the heme unit of deoxyhemoglobin including the proximal imidazole has be...
The recoilless absorption spectra of iron in the ternary alloys CoFeGe, CoFeSb and FeMnGe, which pos...
The hybrid B3PW91 exchange-correlation functional is used to calculate hyperfine fields at lanthanid...
Les spectres Mössbauer des composés tétraédriques (sp3) de Fe(III) de formule générale AFeS2 (A = K,...
We are interested in complex electronic structures of various atomic and ionics systems. We use an a...
The electronic structure of the heme unit of deoxyhemoglobin including the proximal imidazole has be...
A historical review of the early development of Hartree-Fock and Multiconfiguration Hartree-Fock the...
The effect of SL-dependent configuration interaction (SL-CI) on the hyperfine structure of a complex...
The hyperfine properties of Fe57m in the diatomic iron molecule have been analyzed using the self-co...
The theoretical study of the hyperfine structure of the levels belonging to the group of configurati...
The effects of configuration interaction on hyperfine structure (hfs) are considered using second-or...
L'application des spectres Mössbauer à l'étude de l'état des atomes de fer dans les molécules biolog...
Recent multi-configuration Hartree-Fock (MCHF) calculations of atomic hyperfine structures are revie...
The paper discusses a theoretical model that associates the shape of the Mössbauer spectrum with the...
The magnetic hyperfine fields B-hf for the 4d and 5sp elements Rb through Xe at the substitutional s...
The electronic structure of the heme unit of deoxyhemoglobin including the proximal imidazole has be...
The recoilless absorption spectra of iron in the ternary alloys CoFeGe, CoFeSb and FeMnGe, which pos...
The hybrid B3PW91 exchange-correlation functional is used to calculate hyperfine fields at lanthanid...
Les spectres Mössbauer des composés tétraédriques (sp3) de Fe(III) de formule générale AFeS2 (A = K,...
We are interested in complex electronic structures of various atomic and ionics systems. We use an a...
The electronic structure of the heme unit of deoxyhemoglobin including the proximal imidazole has be...
A historical review of the early development of Hartree-Fock and Multiconfiguration Hartree-Fock the...