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Direct calculation of ground-state electronic densities and properties of noble gas atoms through a single time-dependent hydrodynamical equation

Authors :
Bijoy K. Dey
Amlan K. Roy
B. M. Deb
Source :
Chemical Physics Letters. 308:523-531
Publication Year :
1999
Publisher :
Elsevier BV, 1999.

Abstract

Ground-state electronic densities and properties of noble gas atoms (He, Ne, Ar, Kr and Xe) have been calculated through a single time-dependent quantum fluid dynamical equation of motion. The equation has been transformed through imaginary time into a diffusion equation which is then numerically solved in order to reach a global minimum. The present results compare favourably with other available values.

Details

ISSN :
00092614
Volume :
308
Database :
OpenAIRE
Journal :
Chemical Physics Letters
Accession number :
edsair.doi...........7d4852d17e158d022e0907df732185a8
Full Text :
https://doi.org/10.1016/s0009-2614(99)00612-0