Pseudopotentials periodic table: From H to Pu

By A. D. Corso. 2014

1,800 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Condensed Matter Physics, Inorganic Chemistry

View Paper: https://www.semanticscholar.org/paper/a17ade7ed3673af319c1c91c14d3cae5743d258c

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Iurii Timrov
2. Nicola Marzari
3. Michele Simoncelli
4. Roberto Car
5. F. Mauri
6. Stefano de Gironcoli
7. Feliciano Giustino

In Condensed Matter Physics

1. Michele Simoncelli
2. Nicola Marzari
3. Iurii Timrov
4. F. Mauri
5. Stefano de Gironcoli

In Inorganic Chemistry

1. Iurii Timrov
2. Michele Simoncelli
3. Nicola Marzari
4. F. Mauri
5. Stefano de Gironcoli

Citations in the corpus

• Wigner Formulation of Thermal Transport in Solids (2021, methodology): “The following functionals have been tested: LDA (with ultrasoft pseudopotentials from the psilibrary [158]), PBEsol (with GBRV [159] pseudopotentials), and PBE with Grimme D2 correction [160] (with pseudopotentials from the SSSP precision library [161, 162]).”
• Quantum ESPRESSO toward the exascale. (2020, background): “71 These in turn include norm conserving, 72–74 ultrasoft, 75 and PAW 76,77 pseudopotentials thus covering a significant fraction of pw.x functionalities.”