Saue, Trond The DIRAC code for relativistic molecular calculations / Trond Saue, Radovan Bast ... [et al.]. -- ABSTRACT DIRAC is a freely distributed general-purpose program system for one-, two-, and four-component relativistic molecular calculations at the level of Hartree–Fock, Kohn–Sham (including range-separated theory), multiconfigurational self-consistent-field, multireference configuration interaction, electron propagator, and various flavors of coupled cluster theory

In The Journal of Chemical Physics. -- New York : American Institute of Physics, 2020. -- ISSN 0021-9606. -- ISSN 1089-7690. -- Vol. 152, no. 20 (2020), pp. 204104-1-204104-17

1. DIRAC (softvér) 2. relativistická kvantová chémia 3. molecular descriptors 4. články

I. Bast, Radovan
II. Gomes, André Severo Pereira
III. Jensen, Hans Jørgen Aa.
IV. Visscher, Lucas
V. Aucar, Ignacio Agustín
VI. Di Remigio, Roberto
VII. Dyall, Kenneth G.
VIII. Eliav, Ephraim
IX. Fasshauer, Elke
X. Fleig, Timo
XI. Halbert, Loïc
XII. Hedegård, Erik Donovan
XIII. Helmich-Paris, Benjamin
XIV. Iliaš, Miroslav, 1975-
XV. Jacob, Christoph R.
XVI. Knecht, Stefan
XVII. Laerdahl, Jon K.
XVIII. Vidal, Marta L.
XIX. Nayak, Malaya K.
XX. Olejniczak, Małgorzata
XXI. Olsen, Jógvan Magnus Haugaard
XXII. Pernpointner, Markus
XXIII. Senjean, Bruno
XXIV. Shee, Avijit
XXV. Sunaga, Ayaki
XXVI. van Stralen, Joost N. P.
XXVII. The Journal of Chemical Physics. -- Vol. 152, no. 20 (2020), pp. 204104-1-204104-17
BB301