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Volumn 110, Issue 8, 1999, Pages 3678-3686

Spin-free relativistic no-pair ab initio core model potentials and valence basis sets for the transition metal elements Sc to Hg. Part I

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001080628     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478257     Document Type: Article
Times cited : (46)

References (32)
  • 16
    • 85034549664 scopus 로고    scopus 로고
    • AT35 is an atomic SCF program originally written by B. O. Roos and modified later by L. Gianolio. Relativistic operators were introduced by B. A. Hess
    • AT35 is an atomic SCF program originally written by B. O. Roos and modified later by L. Gianolio. Relativistic operators were introduced by B. A. Hess.
  • 17
    • 85034558201 scopus 로고    scopus 로고
    • MOLECULE SWEDEN is an electronic structure program package, written by J. Almlöf, M. R. A. Blomberg, L. G. M. Petterson, B. O. Roos, and P. E. M. Siegbahn. Program modifications to include no-pair relativistic integrals by B. A. Heß, C. M. Marian, and U. Wahlgren
    • MOLECULE SWEDEN is an electronic structure program package, written by J. Almlöf, M. R. A. Blomberg, L. G. M. Petterson, B. O. Roos, and P. E. M. Siegbahn. Program modifications to include no-pair relativistic integrals by B. A. Heß, C. M. Marian, and U. Wahlgren.
  • 18
    • 0003985620 scopus 로고
    • University of Lund, Sweden, Relativistic no-pair integrals were added by U. Wahlgren
    • MOLCAS version 3, K. Andersson, M. R. A. Blomberg, et al. University of Lund, Sweden, 1994. Relativistic no-pair integrals were added by U. Wahlgren.
    • (1994) MOLCAS Version 3
    • Andersson, K.1    Blomberg, M.R.A.2
  • 19
    • 85034533377 scopus 로고    scopus 로고
    • ECPAIMP is an integral program for ECP and AIMP calculations written by L. G. M. Pettersson, L. Seijo, and M. A. Nygren
    • ECPAIMP is an integral program for ECP and AIMP calculations written by L. G. M. Pettersson, L. Seijo, and M. A. Nygren.
  • 20
    • 85034538456 scopus 로고    scopus 로고
    • private communication with J. Laerdahl
    • K. Faegri (private communication with J. Laerdahl).
    • Faegri, K.1
  • 24
    • 85034554317 scopus 로고    scopus 로고
    • See AIP Document No. E-PAPS: E-JCPSA6-110-307908 for MP parameters and valence basis sets. E-PAPS document files may be retrieved free of charge from our FTP server (http://www.aip.org/epaps/epaps.html) or from ftp.aip.org in the directory /epaps/. For further information, e-mail: paps@aip.org or fax: 516-576-2223
    • See AIP Document No. E-PAPS: E-JCPSA6-110-307908 for MP parameters and valence basis sets. E-PAPS document files may be retrieved free of charge from our FTP server (http://www.aip.org/epaps/epaps.html) or from ftp.aip.org in the directory /epaps/. For further information, e-mail: paps@aip.org or fax: 516-576-2223.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.