Bibliography

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• Fundamentals of Plane Wave calculations: [1]
• Test on functionals: [2]

CI-NEB:

• d-band model: [3]
• Universality and related concepts: [4]

[5] [6] Bayesian: [7]

• Interesting review on the accuracy of quantum chemical methods.File:A priori calculation molecular properties-Helgaker-04.pdf

• d and f polarization function basis sets by Frenking and coworkers. File:1993-CPL-208-237.pdf, File:1993-CPL-208-111.pdf, and a correction File:1994-CPL-224-603.pdf