scholarly journals Importance of Van der Waals Interactions in Hydrogen Adsorption on a Silicon-carbide Nanotube Revisited with vdW-DFT and Quantum Monte Carlo

ACS Omega ◽  
2021 ◽  
Author(s):  
Genki I. Prayogo ◽  
Hyeondeok Shin ◽  
Anouar Benali ◽  
Ryo Maezono ◽  
Kenta Hongo
Keyword(s):  
Silicon Carbide ◽  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Hydrogen Adsorption ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Silicon Carbide Nanotube

scholarly journals Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions

2014 ◽  
Vol 10 (8) ◽  
pp. 3417-3422 ◽  
Author(s):  
Anouar Benali ◽  
Luke Shulenburger ◽  
Nichols A. Romero ◽  
Jeongnim Kim ◽  
O. Anatole von Lilienfeld
Keyword(s):  
Monte Carlo ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Diffusion Monte Carlo

scholarly journals Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods

2014 ◽  
Vol 10 (12) ◽  
pp. 5318-5323 ◽  
Author(s):  
P. Ganesh ◽  
Jeongnim Kim ◽  
Changwon Park ◽  
Mina Yoon ◽  
Fernando A. Reboredo ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Density Functional ◽  
Van Der Waals ◽  
Density Functional Methods ◽  
Functional Methods ◽  
And Diffusion

Quantum Monte Carlo studies of the structure and spectroscopy of NenOH (Ã 2Σ+, n=1–4) van der Waals complexes

2001 ◽  
Vol 114 (23) ◽  
pp. 10278-10287 ◽  
Author(s):  
Hee-Seung Lee ◽  
Anne B. McCoy
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Monte Carlo Studies

He2Cl2 and He3Cl2 van der Waals clusters: A quantum Monte Carlo study

1992 ◽  
Vol 97 (9) ◽  
pp. 6472-6480 ◽  
Author(s):  
Z. Bac̆ić ◽  
M. Kennedy‐Mandziuk ◽  
J. W. Moskowitz ◽  
K. E. Schmidt
Keyword(s):  
Monte Carlo ◽  
Quantum Monte Carlo ◽  
Van Der Waals ◽  
Monte Carlo Study ◽  
Van Der Waals Clusters

scholarly journals Grand canonical Monte Carlo simulation of hydrogen physisorption in Li- and K-doped single-walled silicon carbide nanotube

2014 ◽  
Vol 4 (4) ◽  
pp. 81-90 ◽  
Author(s):  
Siavash Taheri ◽  
Muhammad Shadman ◽  
Azim Soltanabadi ◽  
Zohreh Ahadi
Keyword(s):  
Monte Carlo Simulation ◽  
Silicon Carbide ◽  
Monte Carlo ◽  
Grand Canonical Monte Carlo ◽  
Silicon Carbide Nanotube ◽  
Grand Canonical
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