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- [1] IMPROVED ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONSJOURNAL OF CHEMICAL PHYSICS, 1979, 71 (11): : 4445 - 4450CHRISTIANSEN, PALEE, YSPITZER, KS
- [2] ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS - POTENTIALS FOR K TO AU INCLUDING THE OUTERMOST CORE ORBITALSJOURNAL OF CHEMICAL PHYSICS, 1985, 82 (01): : 299 - 310HAY, PJWADT, WR
- [4] RELATIVISTIC EFFECTS IN ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS - APPLICATIONS TO URANIUM ATOMJOURNAL OF CHEMICAL PHYSICS, 1978, 68 (05): : 2386 - 2397KAHN, LRHAY, PJCOWAN, RD
- [5] Calibration of New Model Core Potentials for Main Group ElementsINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2009, 109 (14) : 3235 - 3245Zeng, TaoMori, HirotoshiMiyoshi, EisakuKlobukowski, Mariusz
- [6] GROUND-STATE PROPERTIES OF ALKALI DIMERS AND THEIR CATIONS (INCLUDING THE ELEMENTS LI, NA, AND K) FROM ABINITIO CALCULATIONS WITH EFFECTIVE CORE POLARIZATION POTENTIALSJOURNAL OF CHEMICAL PHYSICS, 1984, 80 (07): : 3311 - 3320MULLER, WMEYER, W
- [7] ABINITIO EFFECTIVE CORE POTENTIALS FOR MOLECULAR CALCULATIONS .2. ALL-ELECTRON COMPARISONS AND MODIFICATIONS OF PROCEDUREJOURNAL OF CHEMICAL PHYSICS, 1978, 68 (07): : 3059 - 3066HAY, PJWADT, WRKAHN, LR
- [8] EFFECTIVE CORE POTENTIALS FOR DFT CALCULATIONSJOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (47): : 17085 - 17087RUSSO, TVMARTIN, RLHAY, PJ
- [9] Accurate relativistic effective potentials for the sixth-row main group elementsJOURNAL OF CHEMICAL PHYSICS, 1997, 107 (23): : 9975 - 9979Wildman, SADiLabio, GAChristiansen, PA
- [10] ABINITIO EFFECTIVE CORE POTENTIALS - REDUCTION OF ALL-ELECTRON MOLECULAR-STRUCTURE CALCULATIONS TO CALCULATIONS INVOLVING ONLY VALENCE-ELECTRONSJOURNAL OF CHEMICAL PHYSICS, 1976, 65 (10): : 3826 - 3853KAHN, LRBAYBUTT, PTRUHLAR, DG