This works extends the recent study on the dielectric permittivity of crystals within the Hartree model [E. Cancès, M. Lewin, Arch. Ration. Mech. Anal. 197 (1) (2010) 139–177] to the time-dependent setting. In particular, we prove the existence and uniqueness of the nonlinear Hartree dynamics (also called the random phase approximation in the physics literature), in a suitable functional space allowing to describe a local defect embedded in a perfect crystal. We also give a rigorous mathematical definition of the microscopic frequency-dependent polarization matrix, and derive the macroscopic Maxwell–Gauss equation for insulating and semiconducting crystals, from a first order approximation of the nonlinear Hartree model, by means of homogenization arguments.
@article{AIHPC_2012__29_6_887_0,
author = {Canc\`es, Eric and Stoltz, Gabriel},
title = {A mathematical formulation of the random phase approximation for crystals},
journal = {Annales de l'I.H.P. Analyse non lin\'eaire},
volume = {29},
year = {2012},
pages = {887-925},
doi = {10.1016/j.anihpc.2012.05.004},
mrnumber = {2995100},
zbl = {1273.82073},
language = {en},
url = {http://dml.mathdoc.fr/item/AIHPC_2012__29_6_887_0}
}
Cancès, Eric; Stoltz, Gabriel. A mathematical formulation of the random phase approximation for crystals. Annales de l'I.H.P. Analyse non linéaire, Tome 29 (2012) pp. 887-925. doi : 10.1016/j.anihpc.2012.05.004. http://gdmltest.u-ga.fr/item/AIHPC_2012__29_6_887_0/
[1] , Quantum theory of the dielectric constant in real solids, Phys. Rev. 126 no. 2 (1962), 413-420 | MR 139443 | Zbl 0108.44003
[2] , Self-consistent relaxation-time models in quantum mechanics, Commun. Partial Differ. Equ. 21 no. 3–4 (1996), 473-506 | MR 1387456 | Zbl 0849.35113
[3] , , , , Setting and analysis of the multi-configuration time-dependent Hartree–Fock equations, Arch. Ration. Mech. Anal. 198 no. 1 (2010), 273-330 | MR 2679373 | Zbl 1229.35221
[4] , , On the time-dependent Hartree–Fock equations coupled with a classical nuclear dynamics, Math. Models Methods Appl. Sci. 9 (1999), 963-990 | MR 1710271 | Zbl 1011.81087
[5] , , , A new approach to the modelling of local defects in crystals: the reduced Hartree–Fock case, Commun. Math. Phys. 281 (2008), 129-177 | MR 2403606 | Zbl 1157.82042
[6] , , The dielectric permittivity of crystals in the reduced Hartree–Fock approximation, Arch. Ration. Mech. Anal. 197 no. 1 (2010), 139-177 | MR 2646817 | Zbl 1197.82113
[7] , The time-dependent Hartree–Fock equations with Coulomb two-body interaction, Commun. Math. Phys. 46 (1976), 99-104 | MR 411439 | Zbl 0322.35043
[8] , , Global existence of solutions to the Cauchy problem for time-dependent Hartree equations, J. Math. Phys. 16 (1975), 1122-1130 | MR 413843 | Zbl 0299.35084
[9] , Dispersion for Schrödinger equation with periodic potential in 1D, Commun. Partial Differ. Equ. 33 no. 11 (2008), 2064-2095 | MR 2475330 | Zbl 1163.35032
[10] , , Mathematical Analysis and Numerical Methods for Science and Technology. Evolution Problems I, Springer (2000) | MR 969367
[11] , , , Effective Maxwell equations from time-dependent density functional theory, Acta Math. Sin. 32 (2011), 339-368 | MR 2754040 | Zbl 1210.81030
[12] , , Self-consistent field approach to the many-electron problem, Phys. Rev. 115 no. 4 (1959), 786-790 | MR 127287 | Zbl 0102.23801
[13] , , , Existence of a stable polarized vacuum in the Bogoliubov–Dirac–Fock approximation, Commun. Math. Phys. 257 (2005), 515-562 | MR 2164942 | Zbl 1115.81061
[14] , From Quantum to Classical Molecular Dynamics: Reduced Models and Numerical Analysis, Zurich Lectures in Advanced Mathematics, European Mathematical Society (EMS), Zürich (2008) | MR 2474331 | Zbl 1160.81001
[15] , , , , , (ed.), Time-Dependent Density Functional Theory, Lecture Notes in Physics vol. 706, Springer, Berlin (2006) | MR 2387299
[16] , Semigroups of Linear Operators and Applications to Partial Differential Equations, Applied Mathematical Sciences vol. 44, Springer, New York (1983) | MR 710486 | Zbl 0516.47023
[17] , , Methods of Modern Mathematical Physics. Fourier Analysis and Self-Adjointness, vol. II, Academic Press (1975) | Zbl 0308.47002
[18] , , Methods of Modern Mathematical Physics. Analysis of Operators, vol. IV, Academic Press (1978) | MR 751959 | Zbl 0401.47001
[19] , , Methods of Modern Mathematical Physics. Scattering Theory, vol. III, Academic Press (1979) | MR 529429 | Zbl 0405.47007
[20] , , Bounds in the Yukawa2 quantum field theory: Upper bound on the pressure, Hamiltonian bound and linear lower bound, Commun. Math. Phys. 45 (1975), 99-114 | MR 413886
[21] , Trace Ideals and Their Applications, London Mathematical Society Lecture Note Series vol. 35, Cambridge University Press, Cambridge (1979) | MR 541149 | Zbl 0423.47001
[22] , Time dependent approach to scattering from impurities in a crystal, Commun. Math. Phys. 33 (1973), 335-343 | MR 334766
[23] , Dielectric constant with local field effects included, Phys. Rev. 129 no. 1 (1963), 62-69 | Zbl 0121.44901
[24] , Existence of solutions for Schrödinger evolution equations, Commun. Math. Phys. 110 (1987), 415-426 | MR 891945 | Zbl 0638.35036