A Database of Gaussian-Type Basis Sets Applied to the Calculation of Electric Properties of the Azide Anion

2019 ◽  
pp. 1081-1084
Author(s):  
A. Hatzis ◽  
A. Haskopoulos ◽  
G. Maroulis
Keyword(s):  
Electric Properties ◽  
Basis Sets ◽  
Gaussian Type ◽  
Azide Anion

Electric properties of the azide ion calculated with a systematic sequence of Gaussian-type basis sets

2006 ◽  
Vol 323 (2-3) ◽  
pp. 451-457 ◽  
Author(s):  
George Maroulis ◽  
Agesilaos Hatzis ◽  
Anastasios Haskopoulos
Keyword(s):  
Electric Properties ◽  
Basis Sets ◽  
Gaussian Type ◽  
Azide Ion

Compact contracted gaussian-type basis sets from Li to Ne

2009 ◽  
Vol 18 (S14) ◽  
pp. 93-106
Author(s):  
Hiroshi Tatewaki ◽  
Sigeru Huzinaga
Keyword(s):  
Basis Sets ◽  
Gaussian Type

Quality of contracted Gaussian-type function basis sets

2004 ◽  
Vol 120 (13) ◽  
pp. 5938-5945 ◽  
Author(s):  
Hiroshi Tatewaki ◽  
Toshikatsu Koga ◽  
Tsuyoshi Shimazaki ◽  
Shigeyoshi Yamamoto
Keyword(s):  
Basis Sets ◽  
Type Function ◽  
Gaussian Type ◽  
Gaussian Type Function

Reduced–size polarized basis sets for calculations of molecular electric properties. III. Second–row atoms

2005 ◽  
Vol 113 (4) ◽  
pp. 238-247 ◽  
Author(s):  
Zuzana Benkova ◽  
Andrzej J. Sadlej ◽  
Roma E. Oakes ◽  
Steven E. J. Bell
Keyword(s):  
Electric Properties ◽  
Basis Sets ◽  
Polarized Basis Sets

scholarly journals Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids

2010 ◽  
Vol 133 (3) ◽  
pp. 034111 ◽  
Author(s):  
Fernando D. Vila ◽  
David A. Strubbe ◽  
Yoshinari Takimoto ◽  
Xavier Andrade ◽  
Angel Rubio ◽  
...  
Keyword(s):  
Real Space ◽  
Basis Set ◽  
Basis Sets ◽  
Gaussian Type
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