FHI-aims: Full-Potential, All-Electron Electronic Structure Theory with Numeric Atom-Centered Basis Functions
Methods and code development · Fritz-Haber-Institut der Max-Planck-Gesellschaft · Theory Department
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Technical publications related to FHI-aims:
(including the publications that should be referenced to when using certain aspects of FHI-aims)

Central References:

Advanced Exchange and Correlation and Excited States in FHI-aims:

Xinguo Ren et al., New Journal of Physics 14, 053020 (2012) is the core reference for this area, listed above. In addition, the following publications cover specific features:

Parallel Scalability:

V. Havu et al., Journal of Computational Physics 228, 8367-8379 (2009) and A. Marek et al., The Journal of Physics: Condensed Matter 26, 213201 (2014) are the core reference for this area, listed above. In addition, the following publications cover specific features:

Embedded-cluster calculations with FHI-aims:

Implicit Solvation Methods in FHI-aims:

Scientific publications that use FHI-aims

New preprints (currently under review)
If you have any FHI-aims related preprints (on condmat or elsewhere, but should be accessible as pdf and submitted to a journal), you are welcome to ask us to list them here.

Preprints of the Theory Department, Fritz Haber Institute Berlin, many of which are related to FHI-aims, can be found by following this link.

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