Basis-set convergence in correlated calculations on Ne, N2, and H2O

Chemical Physics Letters - Tập 286 Số 3-4 - Trang 243-252 - 1998
Asger Halkier1, Trygve Helgaker2, Poul Jørgensen1, Wim Klopper2, Henrik Koch1, Jeppe Olsen3, Angela K. Wilson4
1Department of Chemistry, University of Århus, DK-8000 Århus C, Denmark
2Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, N-0315 Oslo, Norway
3Department of Theoretical Chemistry, University of Lund, P.O. Box 124, S-22100 Lund, Sweden
4Pacific Northwest National Laboratory, K1-83, P.O. Box 999, Richland, WA 99352, USA

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