Fast and accurate quantum Monte Carlo for molecular crystals

Computer simulation plays a central role in modern-day materials science. The utility of a given computational approach depends largely on the balance it provides between accuracy and computational cost. Molecular crystals are a class of materials of great technological importance which are challeng...

Descripción completa

Detalles Bibliográficos
Autores principales: Zen, Andrea, Brandenburg, Jan Gerit, Klimeš, Jiří, Tkatchenko, Alexandre, Alfè, Dario, Michaelides, Angelos
Formato: Online Artículo Texto
Lenguaje:English
Publicado: National Academy of Sciences 2018
Materias:
Physical Sciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5828600/
https://www.ncbi.nlm.nih.gov/pubmed/29432177
http://dx.doi.org/10.1073/pnas.1715434115

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5828600/
https://www.ncbi.nlm.nih.gov/pubmed/29432177
http://dx.doi.org/10.1073/pnas.1715434115

Ejemplares similares