(Q56880721)

English

Performance of the OPBE exchange-correlation functional

No description defined

In more languages

edit

Statements

instance of

scholarly article

0 references

title

Performance of the OPBE exchange-correlation functional (English)

0 references

Marcel Swart

1

0 references

author name string

Andreas W. Ehlers

series ordinal

2

0 references

Koop Lammertsma

series ordinal

3

0 references

publication date

10 December 2004

0 references

published in

Molecular Physics

0 references

volume

102

0 references

issue

23-24

0 references

page(s)

2467-2474

0 references

cites work

Validation of Exchange−Correlation Functionals for Spin States of Iron Complexes

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F0026897042000275017

retrieved

21 January 2018

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F0026897042000275017

retrieved

21 January 2018

Generalized Gradient Approximation Made Simple

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F0026897042000275017

retrieved

21 January 2018

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F0026897042000275017

retrieved

21 January 2018

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

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F0026897042000275017

retrieved

21 January 2018

Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F0026897042000275017

retrieved

21 January 2018

Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F0026897042000275017

retrieved

21 January 2018

Optimized Slater-type basis sets for the elements 1-118.

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F0026897042000275017

retrieved

21 January 2018

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F0026897042000275017

retrieved

21 January 2018

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F0026897042000275017

retrieved

21 January 2018

Density-functional thermochemistry. III. The role of exact exchange

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F0026897042000275017

retrieved

21 January 2018

Self-interaction correction to density-functional approximations for many-electron systems

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F0026897042000275017

retrieved

21 January 2018

The prediction of molecular equilibrium structures by the standard electronic wave functions

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F0026897042000275017

retrieved

21 January 2018

A new parametrization of exchange–correlation generalized gradient approximation functionals

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F0026897042000275017

retrieved

21 January 2018

New generalized gradient approximation functionals

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F0026897042000275017

retrieved

21 January 2018

On the performance of large Gaussian basis sets for the computation of total atomization energies

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F0026897042000275017

retrieved

21 January 2018

Identifiers

DOI

10.1080/0026897042000275017

0 references

(Q56880721)

Performance of the OPBE exchange-correlation functional

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)