(Q46509618)

English

Towards an assessment of the accuracy of density functional theory for first principles simulations of water

scientific article published in January 2004

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15267290

Towards an assessment of the accuracy of density functional theory for first principles simulations of water (English)

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15267290

density functional theory

1 reference

based on heuristic

inferred from title

author name string

Jeffrey C Grossman

1

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15267290

Eric Schwegler

2

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15267290

Erik W Draeger

3

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15267290

François Gygi

4

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15267290

Giulia Galli

5

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15267290

language of work or name

0 references

publication date

1 January 2004

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15267290

Journal of Chemical Physics

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15267290

120

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15267290

1

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15267290

300-311

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15267290

Unified Approach for Molecular Dynamics and Density-Functional Theory

1 reference

https://api.crossref.org/works/10.1063%2F1.1630560

21 January 2018

Inhomogeneous Electron Gas

1 reference

https://api.crossref.org/works/10.1063%2F1.1630560

21 January 2018

Self-Consistent Equations Including Exchange and Correlation Effects

1 reference

https://api.crossref.org/works/10.1063%2F1.1630560

21 January 2018

Superionic and metallic states of water and ammonia at giant planet conditions.

1 reference

https://api.crossref.org/works/10.1063%2F1.1630560

21 January 2018

Fast anomalous diffusion of small hydrophobic species in water.

1 reference

https://api.crossref.org/works/10.1063%2F1.1630560

21 January 2018

Generalized Gradient Approximation Made Simple

1 reference

https://api.crossref.org/works/10.1063%2F1.1630560

21 January 2018

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

https://api.crossref.org/works/10.1063%2F1.1630560

21 January 2018

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1 reference

https://api.crossref.org/works/10.1063%2F1.1630560

21 January 2018

A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions

1 reference

https://api.crossref.org/works/10.1063%2F1.1630560

21 January 2018

Free energy of liquid water on the basis of quasichemical theory and ab initio molecular dynamics.

1 reference

https://api.crossref.org/works/10.1063%2F1.1630560

21 January 2018

Neutron scattering lengths and cross sections

1 reference

https://api.crossref.org/works/10.1063%2F1.1630560

21 January 2018

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

1 reference

https://api.crossref.org/works/10.1063%2F1.1630560

21 January 2018

The nature and transport mechanism of hydrated hydroxide ions in aqueous solution.

1 reference

https://api.crossref.org/works/10.1063%2F1.1630560

21 January 2018

Tunnelling and zero-point motion in high-pressure ice

1 reference

https://api.crossref.org/works/10.1063%2F1.1630560

21 January 2018

Identifiers

10.1063/1.1630560

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15267290

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15267290

ResearchGate publication ID

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