articleMax Planck Digital LibraryJan 1, 2014GREEN OA

Long-range correlation energy calculated from coupled atomic response functions

AAAmbrosetti, A.RAReilly, A.DRDiStasio, R.TATkatchenko, A.

Abstract

An accurate determination of the electron correlation energy is an essential prerequisite for describing the structure, stability, and function in a wide variety of systems. Therefore, the development of efficient approaches for the calculation of the correlation energy (and hence the dispersion energy as well) is essential and such methods can be coupled with many density-functional approximations, local methods for the electron correlation energy, and even interatomic force fields. In this work, we build upon the previously developed many-body dispersion (MBD) framework, which is intimately linked to the random-phase approximation for the correlation energy. We separate the correlation energy into…

Citation impact

623
total citations
FWCI
29.64
Percentile
100%
References
68
Citations per year

Authors

4
  • AA
    Ambrosetti, A.Corresponding
  • RA
    Reilly, A.
  • DR
    DiStasio, R.
  • TA
    Tkatchenko, A.

Topics & keywords

Topics
Keywords
  • Statistical physics
  • Random phase approximation
  • Range (aeronautics)
  • Electronic correlation
  • Physics
  • Energy (signal processing)
  • Stability (learning theory)
  • Computational physics
UN Sustainable Development Goals
  • Affordable and clean energy
No related works found for this paper.

Funding