scholarly journals Energy band and spin-dependent many-body interactions in ferromagnetic Ni(110): A high-resolution angle-resolved photoemission study

2005 ◽  
Vol 72 (21) ◽  
Author(s):  
Mitsuharu Higashiguchi ◽  
Kenya Shimada ◽  
Keisuke Nishiura ◽  
Xiaoyu Cui ◽  
Hirofumi Namatame ◽  
...  
2008 ◽  
Vol 69 (12) ◽  
pp. 2949-2955
Author(s):  
T. Sato ◽  
K. Terashima ◽  
K. Nakayama ◽  
T. Arakane ◽  
H. Matsui ◽  
...  

2020 ◽  
Author(s):  
Marc Riera ◽  
Alan Hirales ◽  
Raja Ghosh ◽  
Francesco Paesani

<div> <div> <div> <p>Many-body potential energy functions (PEFs) based on the TTM-nrg and MB-nrg theoretical/computational frameworks are developed from coupled cluster reference data for neat methane and mixed methane/water systems. It is shown that that the MB-nrg PEFs achieve subchemical accuracy in the representation of individual many-body effects in small clusters and enables predictive simulations from the gas to the liquid phase. Analysis of structural properties calculated from molecular dynamics simulations of liquid methane and methane/water mixtures using both TTM-nrg and MB-nrg PEFs indicates that, while accounting for polarization effects is important for a correct description of many-body interactions in the liquid phase, an accurate representation of short-range interactions, as provided by the MB-nrg PEFs, is necessary for a quantitative description of the local solvation structure in liquid mixtures. </p> </div> </div> </div>


1991 ◽  
Vol 44 (8) ◽  
pp. 4006-4009 ◽  
Author(s):  
B. B. Goldberg ◽  
D. Heiman ◽  
M. Dahl ◽  
A. Pinczuk ◽  
L. Pfeiffer ◽  
...  

2021 ◽  
Vol 118 (11) ◽  
pp. 113101
Author(s):  
Xiaoli Zhu ◽  
Siting Ding ◽  
Lihui Li ◽  
Ying Jiang ◽  
Biyuan Zheng ◽  
...  

2021 ◽  
Author(s):  
Théo Jaffrelot Inizan ◽  
Frédéric Célerse ◽  
Olivier Adjoua ◽  
Dina El Ahdab ◽  
Luc-Henri Jolly ◽  
...  

We provide an unsupervised adaptive sampling strategy capable of producing μs-timescale molecular dynamics (MD) simulations of large biosystems using many-body polarizable force fields (PFFs).


2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Fuyang Zhou ◽  
Yizhi Qu ◽  
Junwen Gao ◽  
Yulong Ma ◽  
Yong Wu ◽  
...  

AbstractAn ion embedded in warm/hot dense plasmas will greatly alter its microscopic structure and dynamics, as well as the macroscopic radiation transport properties of the plasmas, due to complicated many-body interactions with surrounding particles. Accurate theoretically modeling of such kind of quantum many-body interactions is essential but very challenging. In this work, we propose an atomic-state-dependent screening model for treating the plasmas with a wide range of temperatures and densities, in which the contributions of three-body recombination processes are included. We show that the electron distributions around an ion are strongly correlated with the ionic state studied due to the contributions of three-body recombination processes. The feasibility and validation of the proposed model are demonstrated by reproducing the experimental result of the line-shift of hot-dense plasmas as well as the classical molecular dynamic simulations of moderately coupled ultra-cold neutral plasmas. Our work opens a promising way to treat the screening effect of hot and warm dense plasma, which is a bottleneck of those extensive studies in high-energy-density physics, such as atomic processes in plasma, plasma spectra and radiation transport properties, among others.


2000 ◽  
Vol 281-282 ◽  
pp. 729-730 ◽  
Author(s):  
K Matsuda ◽  
A Sekiyama ◽  
S Suga ◽  
S Imada ◽  
Y Saitoh ◽  
...  

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