Lecture Notes
3_03b_note.pdf
Description:
This file is an annotated version of class notes “Applications and Performance of DFT Methods” and explains spin polarization: the local spin density approximation (LSDA), energies of atoms, small molecules, lattice parameters in solids, bulk modulus in solids (in GPA), oxides, predicting structure: the energy scales, and metal hydrides.
Resource Type:
Lecture Notes
pdf
360 kB
3_03b_note.pdf
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Spring
2005
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