Author:
Dovesi R.,Pisani C.,Roetti C.,Saunders V. R.
Publisher
American Physical Society (APS)
Cited by
141 articles.
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1. Electric field gradients at the nuclei from all-electron four-component relativistic density functional theory using Gaussian-type orbitals;Physical Review B;2024-07-23
2. t2gd orbital ordering patterns in KBF3 (B = Sc, Ti, Fe, Co) perovskites;Journal of Computational Chemistry;2024-05-13
3. On the role of the exact Hartree–Fock exchange in determining the Jahn–Teller energy splitting and electronic band gap in the KBF3 (B=Sc, Ti, Fe, Co, Cr and Cu) perovskites. A quantum mechanical investigation;Chemical Physics Letters;2024-02
4. Jahn‐Teller distortion, octahedra rotations and orbital ordering in perovskites: KScF 3 as a model system;Journal of Computational Chemistry;2024-01-13
5. Band gap, Jahn‐Teller deformation, octahedra rotation in transition metal perovskites LaTiO3$$ {}_3 $$;Journal of Computational Chemistry;2023-12-14