Ewald, P.: Die Berechnung optischer und elektrostatischer Gitterpotentiale. Ann. Phys. 64 (1921) 253--287 Home/Search Document Not in Database Summary Related Articles Check |
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Framework Design, Parallelization and Force Computation in.. - Matthey (Correct)
..... Inequality (21) is not satisfied by the Coulomb potential ( x ij ) cq i q j j x ij j such that the infinite lattice sum in Eq. 20) is only conditionally convergent . In case of the Lennard Jones potential, the sum is absolutely convergent. The well known Ewald summation method [34] is in general useful in systems with large, spatial potential differences, where the summation over one unit cell does not converge sufficiently, i.e. the lattice sum is not absolutely convergent. The lattice sum with the Coulomb potential is usually expressed as 1 n : 22) To ....
....negligible The sum converges and does not depend on the order of summation. The convergence of the sum depends on the order of summation. beyond some cutoff distance, whereas the second part should be smooth for all r, such that its Fourier transform can be represented by a few terms. Ewald [34] suggested to choose a Gaussian convergence factor g(s; n) e sj nj such that the sum becomes (see [76] for a detailed mathematical derivation of the Ewald summation) 1 n 4 q i cos( q i sin( 2 3 5 M j=1 l=1 q j k q j l erf( j x j ....
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P. Ewald. Die Berechnung optischer und elektrostatischer Gitterpotentiale. Ann. Phys., 64:253--287, 1921.
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Ewald, P.: Die Berechnung optischer und elektrostatischer Gitterpotentiale. Ann. Phys. 64 (1921) 253--287
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P. Ewald. Die berechnung optischer und elektrostatischer gitterpotentiale. Ann. Phys., 64:253-287, 1921.
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P. Ewald, Die Berechnung optischer und elektrostatischer Gitterpotentiale, Ann. Phys. 64 (1921) 253--287.
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P. Ewald. Die Berechnung optischer und elektrostatischer Gitterpotentiale. Ann. Phys., 64:253--287, 1921.
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P. Ewald. Die Berechnung optischer und elektrostatischer Gitterpotentiale. Ann. Phys., 64:253--287, 1921.
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P. Ewald. Die Berechnung optischer und elektrostatischer Gitterpotentiale. Ann. Phys., 64:253--287, 1921.
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P. Ewald. Die Berechnung optischer und elektrostatischer Gitterpotentiale. Ann. Phys., 64:253--287, 1921.
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P.Ewald. Die berechnung optischer und elektrostatischer gitterpotentiale. Ann. Phys., 64:253, 1921.
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P. Ewald \Die Berechnung optischer und elektrostatischer Gitterpotentiale, ", Ann. Phys 64, 253-287(1921).
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