1. The DIRAC code for relativistic molecular calculations
| Title | The DIRAC code for relativistic molecular calculations |
|---|---|
| Author info | Trond Saue, Radovan Bast ... [et al.] |
| Author | Saue Trond (5%) |
| Co-authors | Bast Radovan (3%) Gomes André Severo Pereira (3%) Jensen Hans Jørgen Aa. (3%) Visscher Lucas (3%) Aucar Ignacio Agustín (3%) Di Remigio Roberto (3%) Dyall Kenneth G. (3%) Eliav Ephraim (3%) Fasshauer Elke (3%) Fleig Timo (3%) Halbert Loïc (3%) Hedegård Erik Donovan (3%) Helmich-Paris Benjamin (3%) Iliaš Miroslav 1975- (20%) UMBFP08 - Katedra chémie Jacob Christoph R. (3%) Knecht Stefan (3%) Laerdahl Jon K. (3%) Vidal Marta L. (3%) Nayak Malaya K. (3%) Olejniczak Małgorzata (3%) Olsen Jógvan Magnus Haugaard (3%) Pernpointner Markus (3%) Senjean Bruno (3%) Shee Avijit (3%) Sunaga Ayaki (3%) van Stralen Joost N. P. (3%) |
| Source document | The Journal of Chemical Physics. Vol. 152, no. 20 (2020), pp. 204104-1-204104-17. - New York : American Institute of Physics, 2020 |
| Keywords | DIRAC (softvér) - DIRAC (software) relativistická kvantová chémia molecular descriptors |
| Form. Descr. | články - journal articles |
| Language | English |
| Country | United States of America |
| Annotation | 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 |
| URL | Link na plný text |
| Public work category | ADC |
| No. of Archival Copy | 47759 |
| Catal.org. | BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici |
| Database | xpca - PUBLIKAČNÁ ČINNOSŤ |
| References | PERIODIKÁ-Súborný záznam periodika |