X1se: a combined method of density functional calculation and neural network correction for accurate prediction of heats of formation

2016 ◽  
Vol 46 (1) ◽  
pp. 38-50 ◽  
Author(s):  
剑鸣 吴 ◽  
余伟 周 ◽  
勇 杨 ◽  
昕 徐 ◽  
null Jianming Wu, Yong Yang, Yuwei Zhou, Xin Xu
Keyword(s):  
Neural Network ◽  
Density Functional ◽  
Accurate Prediction ◽  
Heats Of Formation ◽  
Density Functional Calculation ◽  
Combined Method ◽  
Method Of Density Functional

Nonlocal density functional calculation of gas phase heats of formation

1995 ◽  
Vol 16 (5) ◽  
pp. 654-658 ◽  
Author(s):  
Dariush Habibollahzadeh ◽  
M. Edward Grice ◽  
Monica C. Concha ◽  
Jane S. Murray ◽  
Peter Politzer
Keyword(s):  
Gas Phase ◽  
Density Functional ◽  
Heats Of Formation ◽  
Density Functional Calculation

Anisotropic gap of superconductingCaC6: A first-principles density functional calculation

2007 ◽  
Vol 75 (2) ◽  
Author(s):  
A. Sanna ◽  
G. Profeta ◽  
A. Floris ◽  
A. Marini ◽  
E. K. U. Gross ◽  
...  
Keyword(s):  
First Principles ◽  
Density Functional ◽  
Density Functional Calculation

scholarly journals Accurate prediction of the properties of materials using the CAM‐B3LYP density functional

2021 ◽  
Author(s):  
Musen Li ◽  
Jeffrey R. Reimers ◽  
Michael J. Ford ◽  
Rika Kobayashi ◽  
Roger D. Amos
Keyword(s):  
Density Functional ◽  
Accurate Prediction ◽  
Properties Of Materials

Band structure and optical properties of SbSeI: density-functional calculation

2007 ◽  
Vol 244 (10) ◽  
pp. 3673-3683 ◽  
Author(s):  
Harun Akkus ◽  
Ali Kazempour ◽  
Hadi Akbarzadeh ◽  
Amirullah M. Mamedov
Keyword(s):  
Optical Properties ◽  
Band Structure ◽  
Density Functional ◽  
Density Functional Calculation
Sign in / Sign up

Export Citation Format

Share Document