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Generally contracted, j-adapted basis sets of p-block elements using primitive functions in the correlation-consistent basis sets are constructed for the X2C Hamiltonian with atomic mean-field spin\u2013orbit integrals (the X2CAMF scheme). The contraction coefficients are taken from atomic X2CAMF Hartree\u2013Fock spinors, thereby following the simple concept of a linear combination of atomic orbitals. Benchmark calculations of spin\u2013orbit splittings, equilibrium bond lengths, and harmonic vibrational frequencies demonstrate the accuracy and efficacy of the j-adapted spin\u2013orbit contraction scheme.<\/jats:p>","DOI":"10.1063\/5.0217762","type":"journal-article","created":{"date-parts":[[2024,8,1]],"date-time":"2024-08-01T10:48:11Z","timestamp":1722509291000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":11,"title":["A new computational framework for spinor-based relativistic exact two-component calculations using contracted basis functions"],"prefix":"10.1063","volume":"161","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1348-6797","authenticated-orcid":false,"given":"Chaoqun","family":"Zhang","sequence":"first","affiliation":[{"name":"Department of Chemistry, The Johns Hopkins University 1 , Baltimore, Maryland 21218, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4901-3235","authenticated-orcid":false,"given":"Kirk A.","family":"Peterson","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Washington State University 2 , Pullman, Washington 99164, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5682-3132","authenticated-orcid":false,"given":"Kenneth G.","family":"Dyall","sequence":"additional","affiliation":[{"name":"Dirac Solutions 3 , Portland, Oregon 97229, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1165-9559","authenticated-orcid":false,"given":"Lan","family":"Cheng","sequence":"additional","affiliation":[{"name":"Department of Chemistry, The Johns Hopkins University 1 , Baltimore, Maryland 21218, USA"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"317","published-online":{"date-parts":[[2024,8,1]]},"reference":[{"key":"2024080109473659800_c1","doi-asserted-by":"publisher","first-page":"276","DOI":"10.1021\/ar50140a002","article-title":"Relativity and the periodic system of elements","volume":"12","year":"1979","journal-title":"Acc. 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