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of 7
pro vyhledávání: '"Beaudet, Todd D."'
Autor:
Kim, Jeongnim, Baczewski, Andrew, Beaudet, Todd D., Benali, Anouar, Bennett, M. Chandler, Berrill, Mark A., Blunt, Nick S., Borda, Edgar Josue Landinez, Casula, Michele, Ceperley, David M., Chiesa, Simone, Clark, Bryan K., Clay III, Raymond C., Delaney, Kris T., Dewing, Mark, Esler, Kenneth P., Hao, Hongxia, Heinonen, Olle, Kent, Paul R. C., Krogel, Jaron T., Kylanpaa, Ilkka, Li, Ying Wai, Lopez, M. Graham, Luo, Ye, Malone, Fionn D., Martin, Richard M., Mathuriya, Amrita, McMinis, Jeremy, Melton, Cody A., Mitas, Lubos, Morales, Miguel A., Neuscamman, Eric, Parker, William D., Flores, Sergio D. Pineda, Romero, Nichols A., Rubenstein, Brenda M., Shea, Jacqueline A. R., Shin, Hyeondeok, Shulenburger, Luke, Tillack, Andreas, Townsend, Joshua P., Tubman, Norm M., Van Der Goetz, Brett, Vincent, Jordan E., Yang, D. ChangMo, Yang, Yubo, Zhang, Shuai, Zhao, Luning
Publikováno v:
J. Phys.: Condens. Matter 30 195901 (2018)
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Car
Externí odkaz:
http://arxiv.org/abs/1802.06922
We present a quantum Monte Carlo study of the hydrogen-benzene system where binding is very weak. We demonstrate that the binding is well described at both variational Monte Carlo (VMC) and diffusion Monte Carlo (DMC) levels by a Jastrow correlated s
Externí odkaz:
http://arxiv.org/abs/0805.1940
Publikováno v:
In Journal of the Mechanics and Physics of Solids September 2015 82:23-31
Publikováno v:
Journal of Chemical Physics; 2/7/2013, Vol. 138 Issue 5, p054503, 8p, 6 Diagrams, 1 Chart, 2 Graphs
Akademický článek
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Publikováno v:
In Solid State Communications October 2015 219:43-47
Publikováno v:
Dynamic Behavior of Materials, Volume 1 (9783319411316); 2017, p1-5, 5p