Pages that link to "Item:Q1967233"

The following pages link to Density-functional theory calculations for poly-atomic systems: Electronic structure, static and elastic properties and ab initio molecular dynamics (Q1967233):

Displaying 6 items.

• Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory (Q1613813) (← links)
• Calculation of bulk modulus for highly anisotropic materials (Q2476326) (← links)
• TIME-DEPENDENT DENSITY FUNCTIONAL STUDY OF MULTIELECTRON TRANSFER IN <font>C</font>^q+–<font>Na</font>₄ COLLISIONS (Q3010868) (← links)
• THE MULTISCALE MODEL COMBINING ELASTIC THEORY WITH <i>AB INITIO</i> CALCULATIONS FOR METAL–CERAMIC INTERFACES (Q3614048) (← links)
• GW self-energy calculations for surfaces and interfaces (Q5943243) (← links)
• \textsf{PWDFT.jl}: a Julia package for electronic structure calculation using density functional theory and plane wave basis (Q6040075) (← links)