화학공학소재연구정보센터
검색결과 : 2건
No. Article
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