The following pages link to Chris J. Pickard (Q225185):
Displaying 5 items.
- \texttt{OptaDOS}: a tool for obtaining density of states, core-level and optical spectra from electronic structure codes (Q314204) (← links)
- (Q709919) (redirect page) (← links)
- Electronic energy minimisation with ultrasoft pseudopotentials (Q709920) (← links)
- Accurate kinetic energy evaluation in electronic structure calculations with localized functions on real space grids (Q5953492) (← links)
- Data set related to the manuscript "Efficient prediction of Nucleus Independent Chemical Shifts for polycyclic aromatic hydrocarbons" (Q6703847) (← links)