Electrostatic energies and forces computed without explicit interparticle interactions : a linear time complexity formulation
A rapid method for the calculation of the electrostatic energy of a system without a cutoff is described in which the computational time grows linearly with the number of particles or charges. The inverse of the distance is approximated as a polynomial, which is then transformed into a function whos...
| Publié dans: | Journal of computational chemistry. - 1984. - 26(2005), 8 vom: 01. Juni, Seite 755-87 |
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| Format: | Article |
| Langue: | English |
| Publié: |
2005
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, P.H.S. Water 059QF0KO0R |