{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,22]],"date-time":"2026-01-22T14:29:25Z","timestamp":1769092165366,"version":"3.49.0"},"reference-count":39,"publisher":"AIP Publishing","issue":"8","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2000,2,22]]},"abstract":"<jats:p>Relativistic four-component random phase approximation (RPA) calculations of indirect nuclear spin\u2013spin coupling constants in MH4\u2008(M=C,\u200aSi,\u200aGe,\u200aSn,\u200aPb) and Pb(CH3)3H are presented. The need for tight s-functions also in relativistic four-component calculations is verified and explained, and the effect of omission of (SS\u2013LL) and (SS\u2013SS) two-electron integrals is investigated. Already in GeH4 we see a relativistic increase in the coupling constant by 12%, and for PbH4 the effect is a 156% increase for the one-bond coupling. Large relativistic effects are also computed for the two-bonds couplings. We find that the relativistic effects on the one-bond couplings are mainly due to scalar relativistic factors rather than spin\u2013orbit corrections.<\/jats:p>","DOI":"10.1063\/1.480504","type":"journal-article","created":{"date-parts":[[2002,7,26]],"date-time":"2002-07-26T12:19:15Z","timestamp":1027685955000},"page":"3493-3498","update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":96,"title":["Relativistic four-component calculations of indirect nuclear spin\u2013spin couplings in MH4\u2008(M=C,\u200aSi,\u200aGe,\u200aSn,\u200aPb) and Pb(CH3)3H"],"prefix":"10.1063","volume":"112","author":[{"given":"Thomas","family":"Enevoldsen","sequence":"first","affiliation":[{"name":"Department of Chemistry, University of Southern Denmark, Campusvej 55, DK-5230\u2009Odense M, Denmark"}]},{"given":"Lucas","family":"Visscher","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Southern Denmark, Campusvej 55, DK-5230\u2009Odense M, Denmark"}]},{"given":"Trond","family":"Saue","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Southern Denmark, Campusvej 55, DK-5230\u2009Odense M, Denmark"}]},{"given":"Hans J\u00f8rgen Aagaard","family":"Jensen","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Southern Denmark, Campusvej 55, DK-5230\u2009Odense M, Denmark"}]},{"given":"Jens","family":"Oddershede","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Southern Denmark, Campusvej 55, DK-5230\u2009Odense M, Denmark"}]}],"member":"317","reference":[{"key":"2024020523165821900_r1","doi-asserted-by":"crossref","first-page":"303","DOI":"10.1103\/PhysRev.91.303","volume":"91","year":"1953","journal-title":"Phys. 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