Efficient calculation of the exact exchange energy in periodic systems using a truncated Coulomb potential

2008 ◽  
Vol 77 (19) ◽  
Author(s):  
James Spencer ◽  
Ali Alavi
Keyword(s):  
Coulomb Potential ◽  
Exchange Energy ◽  
Periodic Systems ◽  
Efficient Calculation ◽  
Exact Exchange

scholarly journals Position-dependent exact-exchange energy for slabs and semi-infinite jellium

2009 ◽  
Vol 80 (23) ◽  
Author(s):  
C. M. Horowitz ◽  
L. A. Constantin ◽  
C. R. Proetto ◽  
J. M. Pitarke
Keyword(s):  
Exchange Energy ◽  
Exact Exchange

scholarly journals Exact-exchange energy density in the gauge of a semilocal density-functional approximation

2008 ◽  
Vol 77 (1) ◽  
Author(s):  
Jianmin Tao ◽  
Viktor N. Staroverov ◽  
Gustavo E. Scuseria ◽  
John P. Perdew
Keyword(s):  
Energy Density ◽  
Density Functional ◽  
Exchange Energy ◽  
Functional Approximation ◽  
Exact Exchange

Exact-exchange Hartree–Fock calculations for periodic systems

1981 ◽  
Vol 44 (3) ◽  
pp. 413-418 ◽  
Author(s):  
G. Angonoa ◽  
R. Dovesi ◽  
C. Pisani ◽  
C. Roetti
Keyword(s):  
Periodic Systems ◽  
Hartree Fock ◽  
Exact Exchange

Exact–exchange Hartree–Fock calculations for periodic systems

1981 ◽  
Vol 44 (3) ◽  
pp. 419-425 ◽  
Author(s):  
M. Causγ ◽  
R. Dovesi ◽  
C. Pisani ◽  
C. Roetti
Keyword(s):  
Periodic Systems ◽  
Hartree Fock ◽  
Exact Exchange

Exact-exchange Hartree-Fock calculations for periodic systems. III. Ground-state properties of diamond

1980 ◽  
Vol 22 (12) ◽  
pp. 5936-5944 ◽  
Author(s):  
R. Dovesi ◽  
C. Pisani ◽  
F. Ricca ◽  
C. Roetti
Keyword(s):  
Ground State ◽  
Periodic Systems ◽  
Hartree Fock ◽  
Ground State Properties ◽  
Exact Exchange
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