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Volumn 106, Issue 9, 1997, Pages 3623-3632

The chemistry of the superheavy elements. I. Pseudopotentials for 111 and 112 and relativistic coupled cluster calculations for (112)H+, (112)F2, and (112)F4

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[No Author keywords available]

Indexed keywords


EID: 0001647313     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473437     Document Type: Article
Times cited : (128)

References (83)
  • 2
    • 0000214270 scopus 로고
    • (b) 350, 281 (1995).
    • (1995) Z. Phys. A , vol.350 , pp. 281
  • 5
    • 4143119991 scopus 로고
    • edited by L. R. Morss and J. Fuger ACS, Washington
    • (a) D. C. Hoffman, in Transuranium Elements. A Half Century, edited by L. R. Morss and J. Fuger (ACS, Washington, 1992), p. 104;
    • (1992) Transuranium Elements. A Half Century , pp. 104
    • Hoffman, D.C.1
  • 39
    • 49849114127 scopus 로고
    • modified version, Stuttgart
    • Program MCHF: Ch. Froese-Fischer, Comput. Phys. Commun. 1, 151 (1970); M. Dolg, modified version, Stuttgart 1987.
    • (1987)
    • Dolg, M.1
  • 41
    • 0003725259 scopus 로고
    • Oxford University Press, London
    • L. R. B. Elton, Nuclear Sizes (Oxford University Press, London, 1961).
    • (1961) Nuclear Sizes
    • Elton, L.R.B.1
  • 42
    • 4143111289 scopus 로고    scopus 로고
    • note
    • See AIP Document No. PAPS JCPSA-106-3623-4 for 4 pages of supplementary material listing total electronic-energies for elements 111 and 112 derived from numerical relativistic or nonrelativistic-all-electron (LS- or jj-averaged) HF and pseudopotential calculations. Order by PAPS number and journal reference from American Institute of Physics, Physics Auxiliary Publication Service, Carolyn Gehlbach, 500 Sunnyside Boulevard, Woodbury, New York 11797-2999, Fax: 516-576-2223, e-mail: paps@aip.org. The price is $1.50 for each microfiche (98 pages) or $5.00 for photocopies of up to 30 pages, and $0.15 for each additional page over 30 pages. Airmail additional. Make checks payable to the American Institute of Physics.
  • 50
    • 4143106816 scopus 로고    scopus 로고
    • note
    • For Zn, Cd, and Hg we chose the pseudopotential parameers of the Stuttgart group (Refs. 27 and 28). For the nonrelativistic and relativistic basis sets, however, we optimized the exponents in order to derive similar large sized basis sets than the one for 112.
  • 53
    • 4143125497 scopus 로고    scopus 로고
    • programs ARGOS, CNVRT, SCFPQ, LSTRN, and spin-orbit CI program
    • (b) A. Chang and R. M. Pitzer, programs ARGOS, CNVRT, SCFPQ, LSTRN, and spin-orbit CI program.
    • Chang, A.1    Pitzer, R.M.2
  • 54
    • 85087190626 scopus 로고    scopus 로고
    • note
    • + using program GRASP (Ref. 29).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.