검색결과 : 2건
No. | Article |
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1 |
On the performance of four-component relativistic density functional theory: Spectroscopic constants and dipole moments of the diatomics HX and XY (X,Y=F, Cl, Br, and I) Fossgaard O, Gropen O, Valero MC, Saue T Journal of Chemical Physics, 118(23), 10418, 2003 |
2 |
Bonding in the homologous series CsAu, CsAg, and CsCu studied at the 4-component density functional theory and coupled cluster levels Fossgaard O, Gropen O, Eliav E, Saue T Journal of Chemical Physics, 119(18), 9355, 2003 |