Gadre, Shridhar R. ; Kulkarni, Sudhir A. ; Pathak, Rajeev K. (1989) Reduced first-order density matrices and "exchange-only" correlation factors for some closed-shell atomic systems Physical Review A, 40 (8). pp. 4224-4231. ISSN 1050-2947
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Official URL: http://pra.aps.org/abstract/PRA/v40/i8/p4224_1
Related URL: http://dx.doi.org/10.1103/PhysRevA.40.4224
Abstract
Systematic investigations on the structure of the reduced, first-order atomic density matrices and the "exchange-only" correlation factors within the frameworks of the Hartree-Fock theory, local-density approximation, and nonlocal-density approximation (NLDA) are carried out. The contours of suitably averaged density matrices and correlation factors for some closed-shell atomic systems are plotted and compared, clarifying some of their significant general features. Exchange energies within the NLDA scheme for these systems have also been computed.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Physical Society. |
| ID Code: | 10513 |
| Deposited On: | 04 Nov 2010 05:17 |
| Last Modified: | 31 May 2011 10:49 |
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