Analytical treatment of the Yukawa screened Coulomb interaction in a plane-wave basis

The calculation of the many-electron (screened) Coulomb and exchange integrals is a very common task to perform in modern electronic structure theory. While an analytical treatment of the complete integrals is too complicated to be attempted directly, essential insight can be gained by focusing on t...

Full description

Bibliographic Details

Published in:	Physics Open
Main Authors:	Priyanka Aggarwal, Ram Kuntal Hazra, Bharti Kapil, Shivalika Sharma, Igor Di Marco
Format:	Article
Language:	English
Published:	Elsevier 2025-02-01
Subjects:	Plane wave basis Yukawa potential Screened Coulomb interaction matrix elements Bessel functions Gamma Functions
Online Access:	http://www.sciencedirect.com/science/article/pii/S2666032624000413