Rapidly convergent procedure to solve the density profile equation in the classical density functional theory
An efficient recursive procedure to solve the density profile equation in the classical density functional theory (DFT) using an inverse Broyden method is described. The present iterative procedure is free of calculation of the Jacobian matrix, and its inversion unavoidable for the well-known Newton...
| Publié dans: | Journal of computational chemistry. - 1984. - 27(2006), 8 vom: 05. Juni, Seite 941-7 |
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| Auteur principal: | |
| Format: | Article |
| Langue: | English |
| Publié: |
2006
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article |