Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Löwdin orbitals: Optimized Fermi-orbital descriptors for Li–Kr | Zendy

Der-you Kao | Zendy; Kushantha P. K. Withanage | Zendy; Torsten Hahn | Zendy; Javaria Batool | Zendy; Jens Kortus | Zendy; Koblar Alan Jackson | Zendy

Open Access

Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Löwdin orbitals: Optimized Fermi-orbital descriptors for Li–Kr

Author(s) -

Der-you Kao,

Kushantha P. K. Withanage,

Torsten Hahn,

Javaria Batool,

Jens Kortus,

Koblar Alan Jackson

Publication year - 2017

Publication title -

the journal of chemical physics

Language(s) - Uncategorized

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.4996498

Subject(s) - atomic orbital , density functional theory , atomic physics , slater type orbital , physics , molecular orbital , sto ng basis sets , molecular orbital theory , linear combination of atomic orbitals , principal quantum number , fermi gamma ray space telescope , complete active space , quantum mechanics , electron , molecular physics , quantum , molecule , quantum dissipation

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