An algorithm for calculating the Bethe logarithm for small molecules with all-electron explicitly correlated Gaussian functions

2020 ◽  
Vol 757 ◽  
pp. 137859
Author(s):  
Ewa Palikot ◽  
Monika Stanke ◽  
Ludwik Adamowicz
Keyword(s):  
Small Molecules ◽  
Gaussian Functions ◽  
Explicitly Correlated

Analytical energy gradient used in variational Born-Oppenheimer calculations with all-electron explicitly correlated Gaussian functions for molecules containing one π electron

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Vol 138 (12) ◽  
pp. 124101 ◽  
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Michele Pavanello ◽  
Keeper L. Sharkey ◽  
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scholarly journals An algorithm for calculating atomic D states with explicitly correlated Gaussian functions

2011 ◽  
Vol 134 (4) ◽  
pp. 044120 ◽  
Author(s):  
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Sergiy Bubin ◽  
Ludwik Adamowicz
Keyword(s):  
Gaussian Functions ◽  
Explicitly Correlated
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