Documents Optimization of Numerical Atomic Orbitals Eduardo Anglada Siesta foundation-UAM-Nanotec...

Slide 1Optimization of Numerical Atomic Orbitals Eduardo Anglada Siesta foundation-UAM-Nanotec [email protected] [email protected] Slide 2 Atomic Orbitals…

Documents Optimization of Numerical Atomic Orbitals

Optimization of Numerical Atomic Orbitals Eduardo Anglada Siesta foundation-UAM-Nanotec [email protected] [email protected] Atomic Orbitals Very efficient but…

Documents Optimization of Numerical Atomic Orbitals

Optimization of Numerical Atomic Orbitals Eduardo Anglada Siesta foundation-UAM-Nanotec [email protected] [email protected] Atomic Orbitals Very efficient but…

Documents Javier Junquera

Difficulty: how to deal accurately with both the core and valence electrons Javier Junquera Exercises on basis set generation Control of the range: the energy shift Most…