Continuum embeddings in condensed-matter simulations-Reference-Cited by-同舟云学术

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Continuum embeddings in condensed-matter simulations

Published:2018-10-03 Issue:1 Volume:119 Page:e25725
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Andreussi Oliviero¹^ORCID,Fisicaro Giuseppe²

Affiliation:

1. Department of Physics; University of North Texas; Denton Texas

2. Department of Physics; University of Basel; Basel Switzerland

Funder

National Center of Competence in Research Materials’ Revolution: Computational Design and Discovery of Novel Materials

University of North Texas

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.25725/fullpdf

Reference132 articles.

1. Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach

2. Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

3. Efficient solution of Poisson’s equation with free boundary conditions

4. ‘‘Ab initio’’ liquid water

5. Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient‐corrected density functionals

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