A systematic preparation of new contracted Gaussian‐type orbital basis sets. II. Test basis set for Cu2 molecule with and without splitting of the outer orbitals

1980 ◽  
Vol 72 (1) ◽  
pp. 399-405 ◽  
Author(s):  
Hiroshi Tatewaki ◽  
Sigeru Huzinaga
Keyword(s):  
Basis Set ◽  
Basis Sets ◽  
Gaussian Type ◽  
Type Orbital ◽  
Orbital Basis

A comparison between plane wave and Gaussian-type orbital basis sets for hydrogen bonded systems: Formic acid as a test case

2007 ◽  
Vol 127 (15) ◽  
pp. 154102 ◽  
Author(s):  
Sergio Tosoni ◽  
Christian Tuma ◽  
Joachim Sauer ◽  
Bartolomeo Civalleri ◽  
Piero Ugliengo
Keyword(s):  
Plane Wave ◽  
Formic Acid ◽  
Basis Sets ◽  
Test Case ◽  
Gaussian Type ◽  
Type Orbital ◽  
Orbital Basis ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded

scholarly journals Spin-State-Corrected Gaussian-Type Orbital Basis Sets

2010 ◽  
Vol 114 (26) ◽  
pp. 7191-7197 ◽  
Author(s):  
Marcel Swart ◽  
Mireia Güell ◽  
Josep M. Luis ◽  
Miquel Solà
Keyword(s):  
Spin State ◽  
Basis Sets ◽  
Gaussian Type ◽  
Type Orbital ◽  
Orbital Basis

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

scholarly journals Magnetic properties with multiwavelets and DFT: the complete basis set limit achieved

2016 ◽  
Vol 18 (31) ◽  
pp. 21145-21161 ◽  
Author(s):  
Stig Rune Jensen ◽  
Tor Flå ◽  
Dan Jonsson ◽  
Rune Sørland Monstad ◽  
Kenneth Ruud ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Plane Waves ◽  
Basis Set ◽  
Basis Sets ◽  
Attractive Alternative ◽  
Gaussian Type ◽  
Complete Basis ◽  
Complete Basis Set ◽  
Complete Basis Set Limit

Multiwavelets are emerging as an attractive alternative to traditional basis sets such as Gaussian-type orbitals and plane waves.

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