scholarly journals Appropriate constraints for variational optimization of electronic density matrices and electron densities

1982 ◽  
Vol 79 (20) ◽  
pp. 6391-6395 ◽  
Author(s):  
P. W. Payne
Author(s):  
Kin Lam

The energy of moving ions in solid is dependent on the electronic density as well as the atomic structural properties of the target material. These factors contribute to the observable effects in polycrystalline material using the scanning ion microscope. Here we outline a method to investigate the dependence of low velocity proton stopping on interatomic distances and orientations.The interaction of charged particles with atoms in the frame work of the Fermi gas model was proposed by Lindhard. For a system of atoms, the electronic Lindhard stopping power can be generalized to the formwhere the stopping power function is defined as


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