Gadre, Shridhar R. ; Chakravorty, Subhas J. (1986) Interconnections between atomic-electron density and electron-momentum density: leading and tail corrections Physical Review A, 33 (2). pp. 1374-1377. ISSN 1050-2947
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Official URL: http://pra.aps.org/abstract/PRA/v33/i2/p1374_1
Related URL: http://dx.doi.org/10.1103/PhysRevA.33.1374
Abstract
The Burkhardt-Konya-Coulson-March (BKCM) procedure developed by Gadre and Pathak for direct and reverse transformations between atomic-electron density and electron-momentum density has been modified. The modification is based on a work by Allan and March suggesting the use of a square of the Fourier transform of √ρ(r) for obtaining electron-momentum density at small as well as large p values. The new procedure [grafted-BKCM (G-BKCM)] involves an amalgamation of these procedures: the Allan-March procedure being grafted onto the BKCM method for low and high p values. The G-BKCM method has been tested out in direct as well as reverse directions and is seen to lead to extremely good estimates of atomic properties in the conjugate space.
Item Type: | Article |
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Source: | Copyright of this article belongs to The American Physical Society. |
ID Code: | 86917 |
Deposited On: | 14 Mar 2012 07:49 |
Last Modified: | 14 Mar 2012 07:49 |
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