Electronic Structure Calculations for Solids and Molecules: Computational methods

By J. Kohanoff. 2006

163 citations recorded by the source corpus.

Subfields: Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/74b6766f51a2a016438abe824031f6e8259aee4b

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In Physical and Theoretical Chemistry

1. Jeffrey M. McMahon
2. Carlo Pierleoni
3. David M. Ceperley
4. Miguel A. Morales

Citations in the corpus

• The Properties of Hydrogen and Helium Under Extreme Conditions (2011, methodology): “The electronic problem has been completely encapsulated in the potential energy surface (PES), and can be solved with any suitable approximate method such as Density Functional Theory (DFT) or Quantum Monte Carlo (QMC).”