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

Roy, Amlan K. ; Dey, Bijoy Kr. ; Deb, B. M. (1999) Direct calculation of ground-state electronic densities and properties of noble gas atoms through a single time-dependent hydrodynamical equation Chemical Physics Letters, 308 (5-6). pp. 523-531. ISSN 0009-2614

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Official URL: http://linkinghub.elsevier.com/retrieve/pii/S00092...

Related URL: http://dx.doi.org/10.1016/S0009-2614(99)00612-0

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.

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ID Code:9130
Deposited On:29 Oct 2010 11:33
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