Pages that link to "Item:Q1613813"
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The following pages link to Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory (Q1613813):
Displayed 15 items.
- EPW: a program for calculating the electron-phonon coupling using maximally localized Wannier functions (Q546804) (← links)
- Plato: A localised orbital based density functional theory code (Q711769) (← links)
- RESCU: a real space electronic structure method (Q729415) (← links)
- Massively parallel linear-scaling algorithm in an ab initio local-orbital total-energy method (Q1399615) (← links)
- Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn-Sham density functional theory based on higher-order finite element methods (Q2246291) (← links)
- Real-space density functional theory and time dependent density functional theory using finite/infinite element methods (Q2375383) (← links)
- Hybridized kinetic energy functional for orbital-free density functional method (Q2429169) (← links)
- Calculation of bulk modulus for highly anisotropic materials (Q2476326) (← links)
- FIRST-PRINCIPLES STUDY OF THE ELECTRONIC, LINEAR, AND NONLINEAR OPTICAL PROPERTIES OF <font>Li(Nb, Ta)O</font><sub>3</sub> (Q3010964) (← links)
- AN EFFICIENT DENSITY FUNCTIONAL ALGORITHM IN A STRONG MAGNETIC FIELD (Q3630883) (← links)
- THEORETICAL STUDY OF THE BAND GAP OF <font>SrSe</font> AND <font>SrTe</font> IN GW APPROXIMATION (Q4910650) (← links)
- A projector augmented wave (PAW) code for electronic structure calculations. I: Atompaw for generating atom-centered functions (Q5938250) (← links)
- Reproducibility in \(G_0 W_0\) calculations for solids (Q6039702) (← links)
- A first-principles method to calculate fourth-order elastic constants of solid materials (Q6105072) (← links)
- Superconductivity in hydrogenated carbon nanostructures (Q6108610) (← links)
