scholarly journals Understanding the pseudocapacitance of RuO2from joint density functional theory

2016 ◽  
Vol 28 (46) ◽  
pp. 464004 ◽  
Author(s):  
Cheng Zhan ◽  
De-en Jiang
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Joint Density ◽  
Functional Theory

scholarly journals JDFTx: Software for joint density-functional theory

SoftwareX ◽  
2017 ◽  
Vol 6 ◽  
pp. 278-284 ◽  
Author(s):  
Ravishankar Sundararaman ◽  
Kendra Letchworth-Weaver ◽  
Kathleen A. Schwarz ◽  
Deniz Gunceler ◽  
Yalcin Ozhabes ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Joint Density ◽  
Functional Theory

scholarly journals Joint density-functional theory for electronic structure of solvated systems

2007 ◽  
Vol 75 (20) ◽  
Author(s):  
S. A. Petrosyan ◽  
Jean-Francois Briere ◽  
David Roundy ◽  
T. A. Arias
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Density Functional ◽  
Joint Density ◽  
Functional Theory

scholarly journals The importance of nonlinear fluid response in joint density-functional theory studies of battery systems

2013 ◽  
Vol 21 (7) ◽  
pp. 074005 ◽  
Author(s):  
Deniz Gunceler ◽  
Kendra Letchworth-Weaver ◽  
Ravishankar Sundararaman ◽  
Kathleen A Schwarz ◽  
T A Arias
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Joint Density ◽  
Functional Theory ◽  
Battery Systems ◽  
Nonlinear Fluid
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