Iliaš, Miroslav, 1975- Inclusion of mean-field spin–orbit effects based on all-electron two-component spinors: Pilot calculations on atomic and molecular properties = Zahrnutie spriemernených spin-orbitálnych efektov nad dvojkompoentnými spinormi: pilotné výpočty atómových a molekulových vlastností / Miroslav Iliaš ... [et al.]. -- Relativity is accounted for by Douglas–Kroll transformed one-electron operators: scalar (spin-free) and so called mean-field spin–orbit terms. The interelectronic interaction is represented by the nonrelativistic Coulomb operator.

In The Journal of Chemical Physics. -- New York : American Institute of Physics, 2001. -- ISSN 0021-9606. -- ISSN 1089-7690. -- Vol. 115, no. 21 (2001), pp. 9667-9674

1. mean-field spin-orbit effects 2. two-component spinors 3. molecular properties

I. Kellö, Vladimír
II. Visscher, Lucas
III. Schimmelpfennig, Berndt
IV. The Journal of Chemical Physics. -- Vol. 115, no. 21 (2001), pp. 9667-9674

54
BB301