Effects of metal impurities on the optical properties of polyethylene in the warm dense-matter regime

2010 ◽  
Vol 81 (21) ◽  
Author(s):  
D. A. Horner ◽  
J. D. Kress ◽  
L. A. Collins
Keyword(s):  
Optical Properties ◽  
Dense Matter ◽  
Warm Dense Matter ◽  
Metal Impurities

Optical and physical properties of hydrocarbons with metal impurities in the warm dense matter regime

2021 ◽  
Vol 28 (2) ◽  
pp. 022705
Author(s):  
Yu Cao ◽  
Yanyun Chu ◽  
Zhen Wang ◽  
Jianmin Qi ◽  
Lin Zhou ◽  
...  
Keyword(s):  
Physical Properties ◽  
Dense Matter ◽  
Warm Dense Matter ◽  
Metal Impurities

RESEOS – A model of thermodynamic and optical properties of hot and warm dense matter

2014 ◽  
Vol 13 ◽  
pp. 20-33 ◽  
Author(s):  
A.A. Ovechkin ◽  
P.A. Loboda ◽  
V.G. Novikov ◽  
A.S. Grushin ◽  
A.D. Solomyannaya
Keyword(s):  
Optical Properties ◽  
Dense Matter ◽  
Warm Dense Matter

scholarly journals Ab initiomodel of optical properties of two-temperature warm dense matter

2014 ◽  
Vol 90 (3) ◽  
Author(s):  
B. Holst ◽  
V. Recoules ◽  
S. Mazevet ◽  
M. Torrent ◽  
A. Ng ◽  
...  
Keyword(s):  
Optical Properties ◽  
Dense Matter ◽  
Warm Dense Matter ◽  
Two Temperature

Calculation of Optical Properties with Spin-Orbit Coupling for Warm Dense Matter

2021 ◽  
pp. 108029
Author(s):  
Nils Brouwer ◽  
Vanina Recoules ◽  
Natalie Holzwarth ◽  
Marc Torrent
Keyword(s):  
Optical Properties ◽  
Dense Matter ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Warm Dense Matter

scholarly journals Warm dense matter simulation via electron temperature dependent deep potential molecular dynamics

2020 ◽  
Vol 27 (12) ◽  
pp. 122704
Author(s):  
Yuzhi Zhang ◽  
Chang Gao ◽  
Qianrui Liu ◽  
Linfeng Zhang ◽  
Han Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electron Temperature ◽  
Dense Matter ◽  
Temperature Dependent ◽  
Warm Dense Matter

scholarly journals An Investigation into the Approximations Used in Wave Packet Molecular Dynamics for the Study of Warm Dense Matter

Plasma ◽  
2021 ◽  
Vol 4 (2) ◽  
pp. 294-308
Author(s):  
William A. Angermeier ◽  
Thomas G. White
Keyword(s):  
Molecular Dynamics ◽  
Wave Packet ◽  
Hydrogen Plasma ◽  
Valence Bond ◽  
Dense Matter ◽  
Basis Set ◽  
Warm Dense Matter ◽  
Scaling Parameters ◽  
Oppenheimer Approximation ◽  
Semi Empirical

Wave packet molecular dynamics (WPMD) has recently received a lot of attention as a computationally fast tool with which to study dynamical processes in warm dense matter beyond the Born–Oppenheimer approximation. These techniques, typically, employ many approximations to achieve computational efficiency while implementing semi-empirical scaling parameters to retain accuracy. We investigated three of the main approximations ubiquitous to WPMD: a restricted basis set, approximations to exchange, and the lack of correlation. We examined each of these approximations in regard to atomic and molecular hydrogen in addition to a dense hydrogen plasma. We found that the biggest improvement to WPMD comes from combining a two-Gaussian basis with a semi-empirical correction based on the valence-bond wave function. A single parameter scales this correction to match experimental pressures of dense hydrogen. Ultimately, we found that semi-empirical scaling parameters are necessary to correct for the main approximations in WPMD. However, reducing the scaling parameters for more ab-initio terms gives more accurate results and displays the underlying physics more readily.

Sign in / Sign up

Export Citation Format

Share Document