Modification of virtual orbitals

1979 ◽  
Vol 15 (6) ◽  
pp. 589-600 ◽  
Author(s):  
Nelson H. F. Beebe
Keyword(s):  
Virtual Orbitals

Optimized virtual orbitals for relativistic calculations: an alternative approach to the basis set construction for correlation calculations

2006 ◽  
Vol 104 (13-14) ◽  
pp. 2277-2292 ◽  
Author(s):  
Michal Pito[nbreve]ák ◽  
Pavel Neogrády ◽  
VladimÍr Kellö ◽  
Miroslav Urban
Keyword(s):  
Basis Set ◽  
Alternative Approach ◽  
Virtual Orbitals

Electron affinity of the O2 molecule: CCSD(T) calculations using the optimized virtual orbitals space approach

2008 ◽  
Vol 108 (12) ◽  
pp. 2159-2171 ◽  
Author(s):  
Martin Šulka ◽  
Michal Pitoňák ◽  
Pavel Neogrády ◽  
Miroslav Urban
Keyword(s):  
Electron Affinity ◽  
Space Approach ◽  
Virtual Orbitals

Pipek-Mezey localization of occupied and virtual orbitals

2013 ◽  
Vol 34 (17) ◽  
pp. 1456-1462 ◽  
Author(s):  
Ida-Marie H⊘yvik ◽  
Branislav Jansik ◽  
Poul J⊘rgensen
Keyword(s):  
Virtual Orbitals

Improved virtual orbitals in the potential of the SCF ion

1977 ◽  
Vol 45 (1) ◽  
pp. 55-58 ◽  
Author(s):  
K. Hirao ◽  
S. Huzinaga
Keyword(s):  
Virtual Orbitals

A systematicCI procedure with modified virtual orbitals

1980 ◽  
Vol 1 (1) ◽  
pp. 69-75 ◽  
Author(s):  
Ian L. Cooper ◽  
Christopher N. M. Pounder
Keyword(s):  
Virtual Orbitals

Nature of Virtual Orbitals in Minimum‐Basis Set Calculations

1971 ◽  
Vol 55 (5) ◽  
pp. 2604-2605 ◽  
Author(s):  
D. McWilliams ◽  
S. Huzinaga
Keyword(s):  
Basis Set ◽  
Virtual Orbitals
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