Lattice Sums Then and Now by Borwein J.M., et al.

By Borwein J.M., et al.

The research of lattice sums started whilst early investigators desired to move from mechanical homes of crystals to the homes of the atoms and ions from which they have been outfitted (the literature of Madelung's constant). A parallel literature was once equipped round the optical houses of normal lattices of atoms (initiated through Lord Rayleigh, Lorentz and Lorenz). For over a century many well-known scientists and mathematicians have delved into the houses of lattices, occasionally unwittingly duplicating the paintings in their predecessors. the following, ultimately, is a entire review of the vast physique of data that exists on lattice sums and their purposes. The authors additionally supply commentaries on open questions, and clarify smooth concepts which simplify the duty of discovering new ends up in this attention-grabbing and ongoing box. Lattice sums in a single, , 3, 4 and better dimensions are lined

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Lattice Sums Then and Now

The examine of lattice sums begun while early investigators desired to move from mechanical houses of crystals to the homes of the atoms and ions from which they have been outfitted (the literature of Madelung's constant). A parallel literature was once outfitted round the optical houses of standard lattices of atoms (initiated by means of Lord Rayleigh, Lorentz and Lorenz).

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36) 0 We can replace α by −i K 0 if the path of integration is deformed in such a way that K 02 /4t 2 becomes purely imaginary as t approaches zero. 37) where the path of integration leaves the origin along the ray arg t = arg K 0 − π/4 and then returns to the real axis. 37) we have 2 π(r) = √ π ∞ (0) exp −(Rl − r)2 t 2 + ik · Rl + l K 02 dt. 35) with ci = (t/π )ai , di = (π/t)bi , v = 2tr, so that ql = 1 kl (2π Kl + k) ≡ ; 2t 2t we also have π(r) = 2π V0 ∞ exp (0) l −(k2l − K 02 ) dt + ikl · r 3 .

D = 3). 29) Here l is an integer vector which labels the Bravais lattice vectors Rl ; the vectors rt lie in the unit cell and are associated with electric charges εt . , if Rl = l1 a1 + l2 a2 + l3 a3 then Kl = l1 b1 + l2 b2 + l3 b3 , where ai · b j = δi j , V0 = a1 × a2 · a3 . 30) where R pp = |R p − R p |. 32) and Fl (r) = exp (i K 0 |Rl − r| + ik · Rl ) . 31). 1 Let d1 , d2 , d3 generate a Bravais lattice, let A and v be arbitrary vectors and let V0 = d1 × d2 · d3 . Let c1 , c2 , c3 be the corresponding unit vectors for the reciprocal lattice and let ql = li di + v, pl = π li ci .

32) but using Hund potentials to find μ is a simpler process. Sakamoto and his coworkers between 1953 and 1974 did a considerable amount of work on ionic crystals and it is worth summarizing the main points of their results here. Takahasi and Sakamoto [129] took up the problem of evaluating ψ to great accuracy, for many Naor potentials were unknown. Hund [81] had obtained a few to about three significant figures and Birman [15] added a few more. However, Takahasi and Sakamoto give ψ(q/4), 0 ≤ qi ≤ 2, to 15 places and ψ(q/6), 0 ≤ qi ≤ 3, to six places.

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