Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg

By Prascher Brian   Woon David   Peterson Kirk   Dunning Thom   Wilson Angela  

Theoretical Chemistry Accounts, Vol. 128, Iss. 1, 2011-01 ,pp. : 69-82

Springer Publishing Company

Access to resources Recommend Favorite

Correlation consistent, Douglas–Kroll–Hess relativistic basis sets for the 5p and 6p elements

By Bross David   Peterson Kirk  

Theoretical Chemistry Accounts, Vol. 133, Iss. 2, 2014-02 ,pp. : 1-12

Springer Publishing Company

Access to resources Recommend Favorite

Multipole electrostatic model for MNDO-like techniques with minimal valence spd -basis sets

By Horn Anselm   Lin Jr-Hung   Clark Timothy  

Theoretical Chemistry Accounts, Vol. 117, Iss. 3, 2007-03 ,pp. : 461-465

Springer Publishing Company

Access to resources Recommend Favorite

Optimized accurate auxiliary basis sets for RI-MP2 and RI-CC2 calculations for the atoms Rb to Rn

By Hellweg Arnim   Hättig Christof   Höfener Sebastian   Klopper Wim  

Theoretical Chemistry Accounts, Vol. 117, Iss. 4, 2007-04 ,pp. : 587-597

Springer Publishing Company

Access to resources Recommend Favorite

Gaussian basis sets for low-lying excited states of neutral atoms with 2 ≤ Z ≤ 36

By Barreto M T   Neto A C.   Jorge F E  

Canadian Journal of Chemistry, Vol. 82, Iss. 8, 2004-08 ,pp. : 1237-1243

NRC Research Press

Access to resources Recommend Favorite