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cond-mat.mtrl-sci2008★ 378 cited
Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides
D. I. Bilc, R. Orlando, R. Shaltaf +3
Using a linear combination of atomic orbitals approach, we report a systematic comparison of various Density Functional Theory (DFT) and hybrid exchange-correlation functionals for…
cond-mat.mtrl-sci2003
Persistent currents in carbon nanotubes based rings
S. Latil, S. Roche, A. Rubio
Persistent currents in rings constructed from carbon nanotubes are investigated theoretically. After studying the contribution of finite temperature or quenched disorder on covalen…