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Density Functional Theory
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Classroom Contents
Shock Physics on the Sandia Z Pulsed Power Machine
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- 1 APS Topical Group on Shock Compression of Condensed Matter Virtual Seminar Series
- 2 Integration of theory, computation, and experiment
- 3 Advanced experimental platforms
- 4 Typical co-axial load on Z
- 5 Typical stripline load on Z
- 6 Pulsed power
- 7 Density Functional Theory
- 8 What do the Kohn-Sham equations look like?
- 9 First-principles molecular dynamics (FPMD)
- 10 Details of FPMD simulations
- 11 FPMD simulations of the hydrogen/deuterium Hugoniot
- 12 Let's not just pick on the theorists...
- 13 High-precision quartz standard
- 14 High-precision Hugoniot experiments for deuterium
- 15 Dissociation along the Hugoniot - Pair distribution function
- 16 Elevated electron temperature simulations
- 17 Insulator-metal transition at high-p and low-T
- 18 Experimental configuration
- 19 Representative data
- 20 Comparison of reflectivity from aluminum and deuterium
- 21 Wavelength dependence of reflectivity indicative of a metal
- 22 Liquid-liquid, insulator-to-metal transition (LL-IMT)
- 23 Insulator-metal transition at intermediate p and T
- 24 Reanalysis of inferred temperature states
- 25 Reanalysis of semiconducting model
- 26 Determination of the peak state of the system
- 27 Predicted conductivity at the peak states
- 28 Predicted energy gap at the peak states
- 29 Inconsistency of the PBE xc functional
