Realizing Effective Cubic-Scaling Coulomb Hole Plus Screened Exchange Approximation in Periodic Systems via Interpolative Separable Density Fitting with a Plane-Wave Basis Set

2021 ◽  
Vol 125 (34) ◽  
pp. 7545-7557
Author(s):  
Huanhuan Ma ◽  
Lei Wang ◽  
Lingyun Wan ◽  
Jielan Li ◽  
Xinming Qin ◽  
...  
Keyword(s):  
Plane Wave ◽  
Basis Set ◽  
Periodic Systems ◽  
Density Fitting ◽  
Coulomb Hole ◽  
Screened Exchange ◽  
Exchange Approximation

scholarly journals Gaussian and plane-wave mixed density fitting for periodic systems

2017 ◽  
Vol 147 (16) ◽  
pp. 164119 ◽  
Author(s):  
Qiming Sun ◽  
Timothy C. Berkelbach ◽  
James D. McClain ◽  
Garnet Kin-Lic Chan
Keyword(s):  
Plane Wave ◽  
Periodic Systems ◽  
Density Fitting

Implementation: using the plane wave basis set

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