Search Results - "Boccuni, Alberto"
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Perturbation Theory Treatment of Spin–Orbit Coupling. III: Coupled Perturbed Method for Solids
Published in Journal of chemical theory and computation (28-03-2023)“…A previously proposed noncanonical coupled-perturbed Kohn–Sham density functional theory (KS-DFT)/Hartree–Fock (HF) treatment for spin–orbit coupling is here…”
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Journal Article -
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CRYSTALpytools: A Python infrastructure for the Crystal code
Published in Computer physics communications (01-11-2023)“…CRYSTALpytools is an open source Python project available on GitHub that implements a user-friendly interface to the Crystal code for quantum-mechanical…”
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Journal Article -
3
Unveiling the Role of Spin Currents on the Giant Rashba Splitting in Single-Layer WSe2
Published in The journal of physical chemistry letters (25-07-2024)“…The Rashba spin splitting in uniaxial, inversion-asymmetric materials has attracted considerable interest for spintronic applications. The most widely used…”
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Journal Article -
4
Unveiling the Role of Spin Currents on the Giant Rashba Splitting in Single-Layer WSe 2
Published in The journal of physical chemistry letters (25-07-2024)“…The Rashba spin splitting in uniaxial, inversion-asymmetric materials has attracted considerable interest for spintronic applications. The most widely used…”
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Journal Article -
5
Perturbation Theory Treatment of Spin-Orbit Coupling. III: Coupled Perturbed Method for Solids
Published 13-02-2023“…A previously proposed non-canonical coupled-perturbed Kohn-Sham density functional theory (KS-DFT)/Hartree-Fock (HF) treatment for spin-orbit coupling is here…”
Get full text
Journal Article