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Nanosystems: Physics, Chemistry, Mathematics

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Vol 7, No 6 (2016) Development of the orbital-free approach for hetero-atomic systems Abstract  PDF (Eng)  similar documents
V. G. Zavodinsky, O. A. Gorkusha
"... The key problem of the orbital-free approach is calculation of kinetic energy, especially ..."
 
Vol 8, No 5 (2017) Energetics of carbon nanotubes with open edges: Modeling and experiment Abstract  PDF (Eng)  similar documents
V. G. Zavodinsky, O. A. Gorkusha, A. P. Kuz’menko
"... and orbitalfree (OF) method are used to for calculation of the binding energies per atom as functions ..."
 
Vol 10, No 4 (2019) On a possibility to develop a full-potential orbital-free modeling approach Abstract  PDF (Eng)  similar documents
V. G. Zavodinsky, O. A. Gorkusha
"... We studied a principal opportunity to develop a full–potential orbital–free method for modeling ..."
 
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