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