The DIRAC code for relativistic molecular calculations

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