Revised relativistic basis sets for the 5d elements Hf–Hg

2009 ◽  
Vol 125 (1-2) ◽  
pp. 97-100 ◽  
Author(s):  
Kenneth G. Dyall ◽  
Andre S. P. Gomes
Keyword(s):  
Basis Sets ◽  
Relativistic Basis Sets

Systematic Sequences of Geometric Relativistic Basis Sets. I:s- and p-Block Elements up to Xe

2006 ◽  
Vol 115 (5) ◽  
pp. 398-409 ◽  
Author(s):  
André Severo Pereira Gomes ◽  
Rogério Custodio ◽  
Lucas Visscher
Keyword(s):  
Basis Sets ◽  
Relativistic Basis Sets

scholarly journals All‐electron scalar relativistic basis sets for the elements Rb–Xe

2020 ◽  
Vol 41 (20) ◽  
pp. 1842-1849 ◽  
Author(s):  
Julian D. Rolfes ◽  
Frank Neese ◽  
Dimitrios A. Pantazis
Keyword(s):  
Basis Sets ◽  
Relativistic Basis Sets

All-Electron Scalar Relativistic Basis Sets for Third-Row Transition Metal Atoms

2008 ◽  
Vol 4 (6) ◽  
pp. 908-919 ◽  
Author(s):  
Dimitrios A. Pantazis ◽  
Xian-Yang Chen ◽  
Clark R. Landis ◽  
Frank Neese
Keyword(s):  
Transition Metal ◽  
Basis Sets ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Relativistic Basis Sets

Comments on relativistic basis sets

2003 ◽  
Vol 109 (1) ◽  
pp. 40-42 ◽  
Author(s):  
Hiroshi Tatewaki ◽  
Yuji Mochizuki
Keyword(s):  
Basis Sets ◽  
Relativistic Basis Sets

All-Electron Scalar Relativistic Basis Sets for the Actinides

2011 ◽  
Vol 7 (3) ◽  
pp. 677-684 ◽  
Author(s):  
Dimitrios A. Pantazis ◽  
Frank Neese
Keyword(s):  
Basis Sets ◽  
Relativistic Basis Sets

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

2010 ◽  
Vol 128 (1) ◽  
pp. 69-82 ◽  
Author(s):  
Brian P. Prascher ◽  
David E. Woon ◽  
Kirk A. Peterson ◽  
Thom H. Dunning ◽  
Angela K. Wilson
Keyword(s):  
Basis Sets ◽  
Gaussian Basis Sets ◽  
Relativistic Basis Sets ◽  
Molecular Calculations

scholarly journals Error-consistent segmented contracted all-electron relativistic basis sets of double- and triple-zeta quality for NMR shielding constants

2019 ◽  
Vol 21 (30) ◽  
pp. 16658-16664 ◽  
Author(s):  
Yannick J. Franzke ◽  
Robert Treß ◽  
Tobias M. Pazdera ◽  
Florian Weigend
Keyword(s):  
Basis Sets ◽  
Relativistic Basis Sets ◽  
Shielding Constants ◽  
Triple Zeta

We present property-tailored all-electron relativistic Karlsruhe basis sets for the elements hydrogen to radon.

All-Electron Scalar Relativistic Basis Sets for the Lanthanides

2009 ◽  
Vol 5 (9) ◽  
pp. 2229-2238 ◽  
Author(s):  
Dimitrios A. Pantazis ◽  
Frank Neese
Keyword(s):  
Basis Sets ◽  
Relativistic Basis Sets
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