scholarly journals Self-consistent van der Waals density functional study of benzene adsorption on Si(100)

2016 ◽  
Vol 93 (24) ◽  
Author(s):  
Yuji Hamamoto ◽  
Ikutaro Hamada ◽  
Kouji Inagaki ◽  
Yoshitada Morikawa
Keyword(s):  
Density Functional ◽  
Van Der Waals ◽  
Functional Study ◽  
Benzene Adsorption ◽  
Density Functional Study ◽  
Self Consistent

scholarly journals Potassium intercalation in graphite: A van der Waals density-functional study

2007 ◽  
Vol 76 (15) ◽  
Author(s):  
Eleni Ziambaras ◽  
Jesper Kleis ◽  
Elsebeth Schröder ◽  
Per Hyldgaard
Keyword(s):  
Density Functional ◽  
Van Der Waals ◽  
Functional Study ◽  
Density Functional Study

Complete active space self‐consistent field and density functional study of FNO

1994 ◽  
Vol 100 (1) ◽  
pp. 459-463 ◽  
Author(s):  
Theodore S. Dibble ◽  
Joseph S. Francisco ◽  
Robert J. Deeth ◽  
Michael R. Hand ◽  
Ian H. Williams
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Complete Active Space ◽  
Active Space ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Density functional study of 1,3,5-trinitro-1,3,5-triazine molecular crystal with van der Waals interactions

2010 ◽  
Vol 132 (9) ◽  
pp. 094106 ◽  
Author(s):  
Fuyuki Shimojo ◽  
Zhongqing Wu ◽  
Aiichiro Nakano ◽  
Rajiv K. Kalia ◽  
Priya Vashishta
Keyword(s):  
Molecular Crystal ◽  
Density Functional ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Functional Study ◽  
Density Functional Study
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