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Density functional calculation of Compton profiles of metals using phase-space approach

✍ Scribed by R.R. Mishra; R.M. Singru


Book ID
107855136
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
149 KB
Volume
64
Category
Article
ISSN
0038-1098

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## Abstract We explore the use of density functionals in calculating the equilibrium distances, dissociation energies, and harmonic vibrational frequencies of the homonuclear diatomics of the second‐row transition metals, platinum, and gold. The outermost __s__–__d__ interconfigurational energies (