Calculations of spin-spin coupling constants with the self-consistent polarization propagator approximation in non-singlet unstable wavefunctions

✍ Scribed by Gustavo E. Scuseria; Rubén H. Contreras

• Publisher: Elsevier Science
• Year: 1982
• Tongue: English
• Weight: 353 KB
• Volume: 93
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(82)83214-4

✦ Synopsis

Nuclear spm-spm couphng CO~SSIIUI~S xc calculakd wth lhc self-consWent polanzation prop~!s~or appro\nn~lron method stmtmg from a scmr-cmpmcJl nonsmglct unstable ~'avcfunct~on. IXccts on o and n rnnsmllrcd componcnrs arc scparatcly analyscd. Results show tht tins approum~tlon IS an adcquatc fraw%orl for the rcrw contxt term when the corresponding Hi-state prcscnls il nonsmglct mstabdlty * hlcmber of the Argcntmc National Rcscarch Councd (CONICE-I').