A refined ring polymer contraction scheme for systems with electrostatic interactions

We have recently shown how path integral simulations can be streamlined by decomposing the potential into a sum of rapidly-varying short-range and slowly-varying long-range contributions. Here, we introduce an efficient way to perform this decomposition for systems with electrostatic interactions an...

Бүрэн тодорхойлолт

Номзүйн дэлгэрэнгүй
Үндсэн зохиолчид: Markland, T, Manolopoulos, D
Формат: Journal article
Хэл сонгох:English
Хэвлэсэн: 2008