Relativistic Double-Zeta, Triple-Zeta, and Quadruple-Zeta Basis Sets for the 4s, 5s, 6s, and 7s Elements†

The Journal of Physical Chemistry A ◽

10.1021/jp905057q ◽

2009 ◽

Vol 113 (45) ◽

pp. 12638-12644 ◽

Author(s):

Kenneth G. Dyall

Keyword(s):

Double Zeta ◽

Triple Zeta ◽

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Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 6d elements Rf–Cn

Theoretical Chemistry Accounts ◽

10.1007/s00214-011-0906-z ◽

2011 ◽

Vol 129 (3-5) ◽

pp. 603-613 ◽

Author(s):

Kenneth G. Dyall

Keyword(s):

Double Zeta ◽

Triple Zeta ◽

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Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 7p elements, with atomic and molecular applications

Theoretical Chemistry Accounts ◽

10.1007/s00214-012-1172-4 ◽

2012 ◽

Vol 131 (3) ◽

Author(s):

Kenneth G. Dyall

Keyword(s):

Double Zeta ◽

Triple Zeta ◽

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Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the actinides Ac–Lr

Theoretical Chemistry Accounts ◽

10.1007/s00214-006-0175-4 ◽

2006 ◽

Vol 117 (4) ◽

pp. 491-500 ◽

Author(s):

Kenneth G. Dyall

Keyword(s):

Double Zeta ◽

Triple Zeta ◽

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Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the light elements H–Ar

Theoretical Chemistry Accounts ◽

10.1007/s00214-016-1884-y ◽

2016 ◽

Vol 135 (5) ◽

Author(s):

Kenneth G. Dyall

Keyword(s):

Light Elements ◽

Double Zeta ◽

Triple Zeta ◽

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Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 5d elements Hf–Hg

Theoretical Chemistry Accounts ◽

10.1007/s00214-004-607-y ◽

2004 ◽

Vol 112 (5-6) ◽

pp. 403 ◽

Author(s):

Dyall

Keyword(s):

Double Zeta ◽

Triple Zeta ◽

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Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 4d elements Y–Cd

Theoretical Chemistry Accounts ◽

10.1007/s00214-006-0174-5 ◽

2006 ◽

Vol 117 (4) ◽

pp. 483-489 ◽

Author(s):

Kenneth G. Dyall

Keyword(s):

Double Zeta ◽

Triple Zeta ◽

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Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the lanthanides La–Lu

Theoretical Chemistry Accounts ◽

10.1007/s00214-009-0725-7 ◽

2010 ◽

Vol 127 (4) ◽

pp. 369-381 ◽

Author(s):

André S. P. Gomes ◽

Kenneth G. Dyall ◽

Lucas Visscher

Keyword(s):

Double Zeta ◽

Triple Zeta ◽

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Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 5d elements Hf?Hg

Theoretical Chemistry Accounts ◽

10.1007/s00214-004-0607-y ◽

2004 ◽

Vol 112 (5-6) ◽

pp. 403-409 ◽

Author(s):

Kenneth G. Dyall

Keyword(s):

Double Zeta ◽

Triple Zeta ◽

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Relativistic Quadruple-Zeta and Revised Triple-Zeta and Double-Zeta Basis Sets for the 4p, 5p, and 6p Elements

Theoretical Chemistry Accounts ◽

10.1007/s00214-006-0126-0 ◽

2006 ◽

Vol 115 (5) ◽

pp. 441-447 ◽

Author(s):

Kenneth G. Dyall

Keyword(s):

Double Zeta ◽

Double Zeta Basis ◽

Triple Zeta ◽

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Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

Physical Chemistry Chemical Physics ◽

10.1039/b508541a ◽

2005 ◽

Vol 7 (18) ◽

pp. 3297 ◽

Cited By ~ 10808

Author(s):

Florian Weigend ◽

Reinhart Ahlrichs

Keyword(s):

Triple Zeta ◽

Split Valence ◽

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