Adiabatic diffusion Monte Carlo approaches for studies of ground and excited state properties of van der Waals complexes

1999 ◽  
Vol 110 (12) ◽  
pp. 5481-5484 ◽  
Author(s):  
Hee-Seung Lee ◽  
John M. Herbert ◽  
Anne B. McCoy
Keyword(s):  
Monte Carlo ◽  
Excited State ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Diffusion Monte Carlo

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

Monte Carlo calculation of interaction energies for van der Waals complexes

1992 ◽  
Vol 77 (3) ◽  
pp. 477-489 ◽  
Author(s):  
Gregory Tawa ◽  
Paula Whitlock ◽  
Kevin Schmidt ◽  
Jules Moskowitz
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Calculation ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Interaction Energies

Partitioning of interaction energy in van der Waals complexes involving excited state species: The He(1S)+Cl2(B 3Πu) interaction

1995 ◽  
Vol 103 (23) ◽  
pp. 10116-10127 ◽  
Author(s):  
Sl/awomir M. Cybulski ◽  
Rudolf Burcl ◽  
Grzegorz Chal/asiński ◽  
M. M. Szczȩśniak
Keyword(s):  
Excited State ◽  
Interaction Energy ◽  
Van Der Waals ◽  
Van Der Waals Complexes

scholarly journals Excited state energetics of aniline-rare-gas van der Waals complexes

1983 ◽  
Vol 49 (4) ◽  
pp. 899-912 ◽  
Author(s):  
Aviv Amirav ◽  
Uzi Even ◽  
Joshua Jortner ◽  
B. Dick
Keyword(s):  
Excited State ◽  
Van Der Waals ◽  
Van Der Waals Complexes ◽  
Rare Gas
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