Natural Orbitals for Wave Function Based Correlated Calculations Using a Plane Wave Basis Set

2011 ◽  
Vol 7 (9) ◽  
pp. 2780-2785 ◽  
Author(s):  
Andreas Grüneis ◽  
George H. Booth ◽  
Martijn Marsman ◽  
James Spencer ◽  
Ali Alavi ◽  
...  
Keyword(s):  
Wave Function ◽  
Plane Wave ◽  
Basis Set ◽  
Natural Orbitals

Implementation: using the plane wave basis set

2010 ◽  
pp. 85-135
Author(s):  
Dominik Marx ◽  
Jurg Hutter
Keyword(s):  
Plane Wave ◽  
Basis Set

Accuracy of atomization energies and reaction enthalpies in standard and extrapolated electronic wave function/basis set calculations

2000 ◽  
Vol 112 (21) ◽  
pp. 9229-9242 ◽  
Author(s):  
Keld L. Bak ◽  
Poul Jørgensen ◽  
Jeppe Olsen ◽  
Trygve Helgaker ◽  
Wim Klopper
Keyword(s):  
Wave Function ◽  
Basis Set ◽  
Electronic Wave ◽  
Electronic Wave Function
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