Fhom Hamùltonians to Phase Di,agmms, 1987. ,
F : Metal Phys, p.267, 1987. ,
A MHNC Analysis of the Temperature Variation of the Structure of Liquid Potassium, Europhysics Letters (EPL), vol.7, issue.1, p.37, 1988. ,
DOI : 10.1209/0295-5075/7/1/007
Correlation energy, structure factor, radial distribution function, and momentum distribution of the spin-polarized uniform electron gas, Physical Review B, vol.2, issue.3, p.1391, 1994. ,
DOI : 10.1103/PhysRevB.2.3004
Liquid structure of transition metals: investigations using molecular dynamics and perturbation- and integral-equation techniques, Journal of Physics: Condensed Matter, vol.3, issue.11, p.1589, 1991. ,
DOI : 10.1088/0953-8984/3/11/017
pttys. ft lïl2 Bellissent-Funel M C, Chieux P, laevaeque D and lVeis J J l9B9 phys, Rev. A, vol.39, p.6310 ,
Semianalytical form for the local-field correction, Physical Review B, vol.75, issue.11, p.6859, 1996. ,
DOI : 10.1103/PhysRevLett.75.689
Determination of the structure factor of simple liquid metals from the pseudopotential theory and optimized random-phase approximation: Application to Al and Ga, Physical Review B, vol.74, issue.8, p.5071, 1985. ,
DOI : 10.1103/PhysRevB.26.1754
Difference in X-ray scattering between metallic and non-metallic liquids due to conduction electrons, Journal of Physics F: Metal Physics, vol.17, issue.2, p.295, 1987. ,
DOI : 10.1088/0305-4608/17/2/002
Electron-electron pair correlation function in solid and molten nearly-free electron metals, Journal of Physics F: Metal Physics, vol.6, issue.5, p.749, 1976. ,
DOI : 10.1088/0305-4608/6/5/017
42 I I 5T), Phys. Rev. B, 1990. ,
Ion-ion and electron-ion correlations in liquid metallic sodium calculated from the nucleus-electron model, Journal of Physics: Condensed Matter, vol.4, issue.14, p.3679 ,
DOI : 10.1088/0953-8984/4/14/003
Stottrs Solidi b 176 29 -1993b, J. Non-Cryst..Solids, vol.5, issue.58, p.149 ,
Core polarization and the structure of simple metals, Physical Review B, vol.114, issue.10, p.5103, 1979. ,
DOI : 10.1098/rspa.1927.0035
Ph:ts. Rey. B 5ll l39l Regnaut C, Dupont M and Badiali J P l9E0 I, 1994. ,
C: Solid Swe Piys. 3 I l, J. Phys. Japan, vol.61, p.1794, 1968. ,
Electron Correlations at Metallic Densities. V, Physical Review B, vol.34, issue.3, p.875, 1972. ,
DOI : 10.1039/tf9383400678
B a press au deuxième ordre. Le travail que nous avons accompli nous ouvre plusieurs horizons-Avoir le courage de pousser le développement en perturbation jusqu'à un ordre supérieur peut s'avérer fort intéressant afin d ,
on peut envisager I'extraction du potentiel des métaux à partir du facteur de structure expérimental au voisinage du point critique, là où I'application de la théorie des pseudopotentiels est limitée. Enfirr ,
Liquid Ge: A strongly coupled liquid with negligible bridge contributions to the structure factor, Physical Review B, vol.14, issue.6, p.4307, 1986. ,
DOI : 10.1088/0305-4608/14/10/006
Br bB, 1920. ,
Slater-type-orbital method, Physical Review B, vol.39, issue.5, p.2757, 1939. ,
DOI : 10.1103/PhysRevB.39.4945
Energies of curved metallic surfaces from the stabilized-jellium model, Physical Review B, vol.53, issue.11, p.6207 ,
DOI : 10.1103/PhysRevLett.53.344
Erratum: Dominant density parameters and local pseudopotentials for simple metals, Physical Review B, vol.53, issue.19, p.13193, 1996. ,
DOI : 10.1103/PhysRevB.53.13193
ans to phase Di,agrams (éd ,
Non-cryst. solid,s, pp.117-135, 1990. ,
A New Approximation Method in the Problem of Many Electrons, The Journal of Chemical Physics, vol.78, issue.1, p.61, 1935. ,
DOI : 10.1007/BF01397032
Metal Insulator Tbansi'tiotts (éd. Adler D. et Fritsche H, p.10 ,
Statistical Mechanics of Fluid Mixtures, The Journal of Chemical Physics, vol.11, issue.5, p.300, 1935. ,
DOI : 10.1017/S0305004100011191
Optimized norm-conserving pseudopotentials, Journal of Physics: Condensed Matter, vol.4, issue.36, p.7451, 1992. ,
DOI : 10.1088/0953-8984/4/36/018
F: Metal Phys, p.1637, 1978. ,
Status Soli,ttiB, I-02, p.283, 1980. ,
New, thermodynamically consistent, integral equation for simple fluids, Physical Review A, vol.28, issue.2, p.999, 1984. ,
DOI : 10.1103/PhysRevA.28.2990
Dynamic structure of electrons in Li metal: Inelastic synchrotron x-ray scattering results and interpretation beyond the random-phase approximation, Physical Review B, vol.20, issue.10, p.6744 ,
DOI : 10.1016/0031-8914(64)90020-5
Non-Crystalline Solids,I-I-7-1-I-8 The Structure of Non-Crystall, p.460, 1980. ,
Role of Repulsive Forces in Determining the Equilibrium Structure of Simple Liquids, The Journal of Chemical Physics, vol.54, issue.12, p.5237, 1971. ,
DOI : 10.1063/1.1671328
Exact Solution of the Percus-Yevick Integral Equation for Hard Spheres, Physical Review Letters, vol.34, issue.8, p.321, 1963. ,
DOI : 10.1063/1.1731629
Self???consistent integral equations for fluid pair distribution functions: Another attempt, The Journal of Chemical Physics, vol.54, issue.4, p.2336, 1986. ,
DOI : 10.1098/rspa.1964.0233
First Principles Calculations with the Heine???Abarenkov Model Potential, Canadian Journal of Physics, vol.49, issue.12, p.1549, 1971. ,
DOI : 10.1139/p71-182
e Moderne des soli,des. (éd. Dunod Paris, 1949. ,
Phgsical Metallurg{, p.3, 1983. ,
Li,quid and Amorphous metal, p.5, 1986. ,
An i,ntroduction to the Theory of Li,quid MetaIC, L972) [f tZ] Harrison, Phys. Reu.18I, p.1036, 1969. ,
écrire : Ep : Eo+h où E6 est I'énergie du fond de la bande de ,
o1 Par contre, dans le cas du solide, il existe plusieurs contributions à l'énergie et pour Ies dénombrer, il est indispensable de s'appuyer sur certaines approximations. En efiet: -Si on suppose que les fonctions d'onde des électrons de caeur gardent leur caractère atomique dans le solide ,
(q) : h Irî"*"1r'1e>ç(-ik.r)dr, ce terme a déjà été calculé dans I'autre approche. Ainsi, on peut l'écrire : w "' (q) : -ffi f^r r* ,
on a besoin de deux types d'intégrales : I 2(a6(t' )) : Io* r2 J2(lc' r7 Jr(kr) exp l-at(t' )r2l d,r (8.8) re(q, Io* raJr(lc'r1J2(/cr)exp l-ar(l')r2f ar, ainsi que de quelques formules utiles : (B.e) (B.10) ,
ry-f x2)cos(ar)o*, p.14 ,
L'expression F"o(k,ù : E'irrn+ 1)p4(cos Ui çtt;*?) -LWi@) r2(k,r)r2(kr)rzd,r t:O O devient : F'o(k, q) : + pWf0)rs(o;(0)) + h+s(0)To(CIc(0))l -lAt(2) I o(a, )) * h+s(2)To(q (2) )ll +fr cos(dl É nAtrlrl(ao(r)) + h+s(L)rr(ac(1))l -lA"(z)r'(at(2)) + A;+s(2)Tr(ac(2))ll ,
k, ù:#f;en* l)ps(cos q I, tîr;*çrytr(k,r, pp.2-2 ,
Ground State of the Electron Gas by a Stochastic Method, Physical Review Letters, vol.34, issue.7, p.566, 1980. ,
DOI : 10.1039/tf9383400678
Electron Correlations at Metallic Densities, Physical Review, vol.137, issue.2, p.589 ,
DOI : 10.1103/PhysRev.137.B1634
Static Response and Local Field Factor of the Electron Gas, Physical Review Letters, vol.50, issue.4, p.689, 1995. ,
DOI : 10.1103/PhysRevB.50.14838
iininuir:ng.the.ur;r.c to i,nrr.rCç.:he atoiric crrre içtE,tes emd t.!le .ri;tonf5 n'lt1'1*'!il';.rcr4:l;:tjie fcr biud,-ng .&trç,ra. , t's:.eGe n+te;,:li.rls were then scteened.. using a liueai: c'o'e'lrqv i:ri':1fr;'-*i:'ii . methoc uda lo,->rLiireL,l .urrectir+ G(ç) In this work, wc study tbe strt'ctulqr à1dri:ùeirEilr].ir; n:rrnical proper',i.es.r,f ljqnrd-metels b3' u^esrs of iutegral eqrntiou {Jrcory. ai';r'v ,