Chattaraj, P. K. (1989) A pseudo-scattering technique for bound state calculation within density functional theory Chemical Physics Letters, 154 (6). pp. 541-543. ISSN 0009-2614
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Official URL: http://www.sciencedirect.com/science/article/pii/0...
Related URL: http://dx.doi.org/10.1016/0009-2614(89)87148-9
Abstract
The Euler-Lagrange equation in density functional theory is generally a differential (or integro-differential) equation. An integral equation for direct calculations has been obtained from the Euler-Lagrange equation. It is easier to solve the new equation numerically than the original differential equation.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 71262 |
| Deposited On: | 24 Nov 2011 08:32 |
| Last Modified: | 24 Nov 2011 08:32 |
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