نتایج جستجو برای: self consistent

تعداد نتایج: 815620  

Journal: :Symposium - International Astronomical Union 1993

Journal: :Journal of the Mechanical Behavior of Materials 2009

Journal: :Journal of Physics A: Mathematical and Theoretical 2008

Journal: :Progress of Theoretical Physics 1962

Journal: :Physical Review Letters 2021

Supercell models are often used to calculate the electronic structure of local perturbations from ideal periodicity in bulk or on surface a crystal wires. When defect adsorbent is charged, jellium counter charge applied maintain overall neutrality, but interaction artificially repeated charges has be corrected, both total energy and one-electron eigenvalues eigenstates. This becomes paramount s...

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