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Relativistic Double-Zeta, Triple-Zeta, and Quadruple-Zeta Basis Sets for the 4s, 5s, 6s, and 7s Elements Dyall KG Journal of Physical Chemistry A, 113(45), 12638, 2009 |
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Is the Lamb shift chemically significant? Dyall KG, Bauschlicher CW, Schwenke DW, Pyykko P Chemical Physics Letters, 348(5-6), 497, 2001 |
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Interfacing relativistic and nonrelativistic methods. IV. One-and two-electron scalar approximations Dyall KG Journal of Chemical Physics, 115(20), 9136, 2001 |
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Could uranium(XII)hexoxide, UO6 (O-h) exist? Pyykko P, Runeberg N, Straka M, Dyall KG Chemical Physics Letters, 328(4-6), 415, 2000 |
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Bond dissociation energies of the tungsten fluorides and their singly charged ions: A density functional survey Dyall KG Journal of Physical Chemistry A, 104(17), 4077, 2000 |
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Relativistic regular approximations revisited: An infinite-order relativistic approximation Dyall KG, van Lenthe E Journal of Chemical Physics, 111(4), 1366, 1999 |
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Interfacing relativistic and nonrelativistic methods. III. Atomic 4-spinor expansions and integral approximations Dyall KG, Enevoldsen T Journal of Chemical Physics, 111(22), 10000, 1999 |
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Interfacing relativistic and nonrelativistic methods. II. Investigation of a low-order approximation Dyall KG Journal of Chemical Physics, 109(11), 4201, 1998 |
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Interfacing Relativistic and Nonrelativistic Methods .1. Normalized Elimination of the Small Component in the Modified Dirac-Equation Dyall KG Journal of Chemical Physics, 106(23), 9618, 1997 |
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Relativistic 4-Component Multiconfigurational Self-Consistent-Field Theory for Molecules - Formalism Jensen HJ, Dyall KG, Saue T, Faegri K Journal of Chemical Physics, 104(11), 4083, 1996 |