Ab initioanalytical infrared intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method

2012 ◽  
Vol 137 (20) ◽  
pp. 204113 ◽  
Author(s):  
Lorenzo Maschio ◽  
Bernard Kirtman ◽  
Roberto Orlando ◽  
Michel Rèrat
Keyword(s):  
Periodic Systems ◽  
Hartree Fock ◽  
Infrared Intensities

scholarly journals Treatment of the exchange interactions in Hartree-Fock LCAO calculations of periodic systems

1988 ◽  
Vol 92 (4) ◽  
pp. 909-913 ◽  
Author(s):  
M. Causa ◽  
R. Dovesi ◽  
R. Orlando ◽  
Cesare Pisani ◽  
V. R. Saunders
Keyword(s):  
Exchange Interactions ◽  
Periodic Systems ◽  
Hartree Fock

Efficient evaluation of short-range Hartree-Fock exchange in large molecules and periodic systems

2006 ◽  
Vol 125 (10) ◽  
pp. 104103 ◽  
Author(s):  
Artur F. Izmaylov ◽  
Gustavo E. Scuseria ◽  
Michael J. Frisch
Keyword(s):  
Short Range ◽  
Periodic Systems ◽  
Large Molecules ◽  
Hartree Fock

Treatment of Coulomb interactions in Hartree-Fock calculations of periodic systems

1983 ◽  
Vol 28 (10) ◽  
pp. 5781-5792 ◽  
Author(s):  
R. Dovesi ◽  
C. Pisani ◽  
C. Roetti ◽  
V. R. Saunders
Keyword(s):  
Periodic Systems ◽  
Coulomb Interactions ◽  
Hartree Fock
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