Describing long-range charge-separation processes with subsystem density-functional theory

2014 ◽  
Vol 140 (16) ◽  
pp. 164103 ◽  
Author(s):  
Alisa Solovyeva ◽  
Michele Pavanello ◽  
Johannes Neugebauer
Keyword(s):  
Density Functional Theory ◽  
Long Range ◽  
Charge Separation ◽  
Density Functional ◽  
Separation Processes ◽  
Functional Theory

scholarly journals Interaction of H2O with the Platinum Pt (001), (011), and (111) Surfaces: A Density Functional Theory Study with Long-Range Dispersion Corrections

2019 ◽  
Vol 123 (45) ◽  
pp. 27465-27476 ◽  
Author(s):  
Marietjie J. Ungerer ◽  
David Santos-Carballal ◽  
Abdelaziz Cadi-Essadek ◽  
Cornelia G. C. E. van Sittert ◽  
Nora H. de Leeuw
Keyword(s):  
Density Functional Theory ◽  
Long Range ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory
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