scholarly journals Enforcing the linear behavior of the total energy with hybrid functionals: Implications for charge transfer, interaction energies, and the random-phase approximation

2016 ◽  
Vol 94 (3) ◽  
Author(s):  
Viktor Atalla ◽  
Igor Ying Zhang ◽  
Oliver T. Hofmann ◽  
Xinguo Ren ◽  
Patrick Rinke ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Total Energy ◽  
Random Phase Approximation ◽  
Random Phase ◽  
Phase Approximation ◽  
Interaction Energies ◽  
Charge Transfer Interaction ◽  
Linear Behavior ◽  
Hybrid Functionals

Hybrid functionals including random phase approximation correlation and second-order screened exchange

2010 ◽  
Vol 132 (9) ◽  
pp. 094103 ◽  
Author(s):  
Joachim Paier ◽  
Benjamin G. Janesko ◽  
Thomas M. Henderson ◽  
Gustavo E. Scuseria ◽  
Andreas Grüneis ◽  
...  
Keyword(s):  
Random Phase Approximation ◽  
Random Phase ◽  
Second Order ◽  
Phase Approximation ◽  
Screened Exchange ◽  
Hybrid Functionals

Total energy of solids: An exchange and random-phase approximation correlation study

2002 ◽  
Vol 66 (24) ◽  
Author(s):  
T. Miyake ◽  
F. Aryasetiawan ◽  
T. Kotani ◽  
M. van Schilfgaarde ◽  
M. Usuda ◽  
...  
Keyword(s):  
Total Energy ◽  
Random Phase Approximation ◽  
Random Phase ◽  
Correlation Study ◽  
Phase Approximation

Erratum: “Hybrid functionals including random phase approximation correlation and second-order screened exchange” [J. Chem. Phys. 132, 094103 (2010)]

2010 ◽  
Vol 133 (17) ◽  
pp. 179902 ◽  
Author(s):  
Joachim Paier ◽  
Benjamin G. Janesko ◽  
Thomas M. Henderson ◽  
Gustavo E. Scuseria ◽  
Andreas Grüneis ◽  
...  
Keyword(s):  
Random Phase Approximation ◽  
Random Phase ◽  
Chem Phys ◽  
Second Order ◽  
Phase Approximation ◽  
Screened Exchange ◽  
Hybrid Functionals

scholarly journals Charge transfer excitations from particle-particle random phase approximation—Opportunities and challenges arising from two-electron deficient systems

2017 ◽  
Vol 146 (12) ◽  
pp. 124104 ◽  
Author(s):  
Yang Yang ◽  
Adriel Dominguez ◽  
Du Zhang ◽  
Vitalij Lutsker ◽  
Thomas A. Niehaus ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Random Phase Approximation ◽  
Random Phase ◽  
Phase Approximation
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