The following pages link to CRYSTAL (Q37347):
Displaying 9 items.
- A new approach to the modeling of local defects in crystals: The reduced Hartree-Fock case (Q1006862) (← links)
- QWalk: A quantum Monte Carlo program for electronic structure (Q1017601) (← links)
- Ab initio calculations of thermodynamic parameters of lithium, sodium and potassium peroxides (Q1943787) (← links)
- Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes (Q2133782) (← links)
- The Gruneisen parameter for silver azide (Q2637064) (← links)
- Tensor Numerical Methods in Quantum Chemistry (Q2797124) (← links)
- THE ELECTRONIC STRUCTURE AND MAGNETISM OF <font>CrSb</font> WITH LATTICE CONSTANTS (Q3011029) (← links)
- From atoms to crystals: a mathematical journey (Q5461288) (← links)
- Implementation of analytical Hartree-Fock gradients for periodic systems (Q5943241) (← links)