ULHPC - University of Luxembourg: High Performance Computing
Disciplines :
Physics
Author, co-author :
DITTE, Matej ; University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)
BARBORINI, Matteo ; University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Computer Science (DCS)
MEDRANO SANDONAS, Leonardo ; University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)
TKATCHENKO, Alexandre ; University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)
External co-authors :
no
Language :
English
Title :
Molecules in Environments: Toward Systematic Quantum Embedding of Electrons and Drude Oscillators
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See Supplemental Material at http://link.aps.org/supplemental/10.1103/PhysRevLett.131.228001 for further details on the drudon-electron model, the quantum Monte Carlo methods, the computational details of the calculations, and the construction and geometries of the water cages [85-105].
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