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The DIRAC code for relativistic molecular calculations
SYS 0282659 LBL 02385^^^^^2200529^^^450 005 20240510113641.1 014 $a 000537257100003 $2 CCC 014 $a 000537257100003 $2 WOS CC. SCIE 014 $a 2-s2.0-85085909114 $2 SCOPUS 014 $a 32486677 $2 MEDLINE 014 $a 32486677 $2 PubMed 017 70
$a 10.1063/5.0004844 $2 DOI 035 $a biblio/188771 $2 CREPC2 100 $a 20200529d2020 m y slo 03 ba 101 0-
$a eng 102 $a US 200 1-
$a The DIRAC code for relativistic molecular calculations $f Trond Saue, Radovan Bast ... [et al.] 330 0-
$a 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 463 -1
$1 001 umb_un_cat*0297506 $1 011 $a 0021-9606 $1 011 $a 1089-7690 $1 200 1 $a The Journal of Chemical Physics $v Vol. 152, no. 20 (2020), pp. 204104-1-204104-17 $1 210 $a New York $c American Institute of Physics $d 2020 606 0-
$3 umb_un_auth*0245544 $a DIRAC (softvér) $X DIRAC (software) 606 0-
$3 umb_un_auth*0242715 $a relativistická kvantová chémia 606 0-
$3 umb_un_auth*0182805 $a molecular descriptors 608 $3 umb_un_auth*0273282 $a články $X journal articles 700 -1
$3 umb_un_auth*0180312 $a Saue $b Trond $4 070 $9 5 701 -1
$3 umb_un_auth*0180306 $a Bast $b Radovan $4 070 $9 3 701 -1
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$3 umb_un_auth*0280616 $a van Stralen $b Joost N. P. $4 070 $9 3 801 $a SK $b BB301 $g AACR2 $9 unimarc sk 856 $u https://aip.scitation.org/doi/full/10.1063/5.0004844 $a Link na plný text
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