Development of Path Integral Monte Carlo Simulations with Localized Nodal Surfaces for Second-Row Elements

Militzer, Burkhard; Driver, Kevin P.

doi:10.1103/PhysRevLett.115.176403

Title: Development of Path Integral Monte Carlo Simulations with Localized Nodal Surfaces for Second-Row Elements

Journal Article · Thu Oct 22 00:00:00 EDT 2015 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.115.176403· OSTI ID:1224149

Militzer, Burkhard; Driver, Kevin P.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0010517

OSTI ID:: 1224149

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Vol. 115 Journal Issue: 17; ISSN 0031-9007

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 59 works

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References (40)

Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Metallization of silicon in a shock wave: the metallization threshold and ultrahigh defect densities Gilev, S. D.; Trubachev, A. M. Journal of Physics: Condensed Matter, Vol. 16, Issue 46 https://doi.org/10.1088/0953-8984/16/46/003	journal	November 2004
Dense Astrophysical Plasmas Van Horn, H. M. Science, Vol. 252, Issue 5004 https://doi.org/10.1126/science.252.5004.384	journal	April 1991
The chemistry of silicon in hot molecular cores Mackay, D. D. S. Monthly Notices of the Royal Astronomical Society, Vol. 274, Issue 3 https://doi.org/10.1093/mnras/274.3.694	journal	June 1995
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Molecular dynamics simulations of shock-compressed single-crystal silicon Mogni, Gabriele; Higginbotham, Andrew; Gaál-Nagy, Katalin Physical Review B, Vol. 89, Issue 6 https://doi.org/10.1103/PhysRevB.89.064104	journal	February 2014
Properties and computation of the Coulomb pair density matrix Pollock, E. L. Computer Physics Communications, Vol. 52, Issue 1 https://doi.org/10.1016/0010-4655(88)90171-3	journal	December 1988
Effect of shock compression on single crystalline silicon Kishimura, H.; Matsumoto, H.; Thadhani, N. N. Journal of Physics: Conference Series, Vol. 215 https://doi.org/10.1088/1742-6596/215/1/012145	journal	March 2010
High-pressure phases of group-IV, III–V, and II–VI compounds Mujica, A.; Rubio, Angel; Muñoz, A. Reviews of Modern Physics, Vol. 75, Issue 3 https://doi.org/10.1103/RevModPhys.75.863	journal	July 2003
Materials research for fusion energy Cook, Ian Nature Materials, Vol. 5, Issue 2 https://doi.org/10.1038/nmat1584	journal	February 2006
Dynamic Ion Structure Factor of Warm Dense Matter Vorberger, J.; Donko, Z.; Tkachenko, I. M. Physical Review Letters, Vol. 109, Issue 22 https://doi.org/10.1103/PhysRevLett.109.225001	journal	November 2012
Dense astrophysical plasmas Chabrier, G.; Douchin, F.; Potekhin, A. Y. Journal of Physics: Condensed Matter, Vol. 14, Issue 40 https://doi.org/10.1088/0953-8984/14/40/307	journal	September 2002
Equation of state calculations based on the self-consistent ion-sphere and ion-correlation average atom models Rozsnyai, Balazs F. High Energy Density Physics, Vol. 10 https://doi.org/10.1016/j.hedp.2013.11.001	journal	March 2014
Progress in warm dense matter study with applications to planetology Benuzzi-Mounaix, Alessandra; Mazevet, Stéphane; Ravasio, Alessandra Physica Scripta, Vol. T161 https://doi.org/10.1088/0031-8949/2014/T161/014060	journal	May 2014
Properties of Hot Dense Plasmas by Orbital-Free Molecular Dynamics Lambert, F.; Clérouin, J.; Mazevet, S. Contributions to Plasma Physics, Vol. 47, Issue 4-5 https://doi.org/10.1002/ctpp.200710037	journal	July 2007
Pulsed-power-driven high energy density physics and inertial confinement fusion research Matzen, M. Keith; Sweeney, M. A.; Adams, R. G. Physics of Plasmas, Vol. 12, Issue 5 https://doi.org/10.1063/1.1891746	journal	May 2005
Multiphase equation of state for carbon addressing high pressures and temperatures Benedict, Lorin X.; Driver, Kevin P.; Hamel, Sebastien Physical Review B, Vol. 89, Issue 22 https://doi.org/10.1103/PhysRevB.89.224109	journal	June 2014
Electron-ion equilibration in a strongly coupled plasma Ng, A.; Celliers, P.; Xu, G. Physical Review E, Vol. 52, Issue 4 https://doi.org/10.1103/PhysRevE.52.4299	journal	October 1995
Shock Compression of Silicon Polymer Foams with a Range of Initial Densities Alcon, R. R. SHOCK COMPRESSION OF CONDENSED MATTER - 2003: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings https://doi.org/10.1063/1.1780323	conference	January 2004
Frontiers of the physics of dense plasmas and planetary interiors: Experiments, theory, and applications Fortney, J. J.; Glenzer, S. H.; Koenig, M. Physics of Plasmas, Vol. 16, Issue 4 https://doi.org/10.1063/1.3101818	journal	April 2009
Outstanding questions in electron-ion energy relaxation, lattice stability, and dielectric function of warm dense matter Ng, Andrew International Journal of Quantum Chemistry, Vol. 112, Issue 1 https://doi.org/10.1002/qua.23197	journal	September 2011
Silicon chemistry in interstellar clouds Langer, William D.; Glassgold, A. E. The Astrophysical Journal, Vol. 352 https://doi.org/10.1086/168519	journal	March 1990
Energy relaxation in dense, strongly coupled two-temperature plasmas Vorberger, J.; Gericke, D. O.; Bornath, Th. Physical Review E, Vol. 81, Issue 4 https://doi.org/10.1103/PhysRevE.81.046404	journal	April 2010
Grain destruction in shocks in the interstellar medium Jones, A. P.; Tielens, A. G. G. M.; Hollenbach, D. J. The Astrophysical Journal, Vol. 433 https://doi.org/10.1086/174689	journal	September 1994
General atomic and molecular electronic structure system Schmidt, Michael W.; Baldridge, Kim K.; Boatz, Jerry A. Journal of Computational Chemistry, Vol. 14, Issue 11, p. 1347-1363 https://doi.org/10.1002/jcc.540141112	journal	November 1993
Hugoniot Constraint Molecular Dynamics Study of a Transformation to a Metastable Phase in Shocked Silicon Reed, Evan J. Shock Compression of Condensed Matter - 2001: 12th APS Topical Conference, AIP Conference Proceedings https://doi.org/10.1063/1.1483549	conference	January 2002
Smearing scheme for finite-temperature electronic-structure calculations Verstraete, Matthieu; Gonze, Xavier Physical Review B, Vol. 65, Issue 3 https://doi.org/10.1103/PhysRevB.65.035111	journal	December 2001
Thermal equilibration in a shock wave Celliers, P.; Ng, A.; Xu, G. Physical Review Letters, Vol. 68, Issue 15 https://doi.org/10.1103/PhysRevLett.68.2305	journal	April 1992
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Molecular dynamics simulation of Coulomb explosion, melting and shock wave creation in silicon after an ionization pulse Li, Zhongyu; Chen, Di; Wang, Jing Journal of Applied Physics, Vol. 115, Issue 14 https://doi.org/10.1063/1.4869795	journal	April 2014
An Optimized Method for Treating Long-Range Potentials Natoli, Vincent; Ceperley, David M. Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1054	journal	March 1995
Plastic Deformation in Silicon Crystal Induced by Heat-Assisted Laser Shock Peening Cheng, Gary J.; Cai, M.; Pirzada, Daniel Journal of Manufacturing Science and Engineering, Vol. 130, Issue 1 https://doi.org/10.1115/1.2815343	journal	February 2008
First-principles equations of state for simulations of shock waves in silicon Swift, D. C.; Ackland, G. J.; Hauer, A. Physical Review B, Vol. 64, Issue 21 https://doi.org/10.1103/PhysRevB.64.214107	journal	November 2001
Variational density matrix method for warm, condensed matter: Application to dense hydrogen Militzer, Burkhard; Pollock, E. L. Physical Review E, Vol. 61, Issue 4 https://doi.org/10.1103/PhysRevE.61.3470	journal	April 2000
Simulations of dense atomic hydrogen in the Wigner crystal phase Militzer, Burkhard; Graham, Rebekah L. Journal of Physics and Chemistry of Solids, Vol. 67, Issue 9-10 https://doi.org/10.1016/j.jpcs.2006.05.015	journal	September 2006
Equation of State for laboratory astrophysics applications Cotelo, M.; Velarde, P.; de la Varga, A. G. Astrophysics and Space Science, Vol. 336, Issue 1 https://doi.org/10.1007/s10509-010-0551-3	journal	December 2010
Nanoscale Molecular Dynamics Simulaton of Shock Compression of Silicon Oleynik, I. I. SHOCK COMPRESSION OF CONDENSED MATTER - 2005: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings https://doi.org/10.1063/1.2263349	conference	January 2006
Structural and dynamical properties of hot dense matter by a Thomas-Fermi-Dirac molecular dynamics Lambert, F.; Clérouin, J.; Mazevet, S. Europhysics Letters (EPL), Vol. 75, Issue 5 https://doi.org/10.1209/epl/i2006-10184-7	journal	September 2006
Reflectivity and Optical Brightness of Laser-Induced Shocks in Silicon Löwer, Th.; Kondrashov, V. N.; Basko, M. Physical Review Letters, Vol. 80, Issue 18 https://doi.org/10.1103/PhysRevLett.80.4000	journal	May 1998
Anomalous Elastic Response of Silicon to Uniaxial Shock Compression on Nanosecond Time Scales Loveridge-Smith, A.; Allen, A.; Belak, J. Physical Review Letters, Vol. 86, Issue 11 https://doi.org/10.1103/PhysRevLett.86.2349	journal	March 2001

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