(Q37091048)

English

From The Cover: The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties

scholarly article

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scholarly article

1 reference

Europe PubMed Central

18 August 2017

From The Cover: The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties (English)

1 reference

Europe PubMed Central

18 August 2017

author name string

Xin Xu

1

1 reference

Europe PubMed Central

18 August 2017

William A Goddard

2

1 reference

Europe PubMed Central

18 August 2017

language of work or name

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publication date

23 February 2004

1 reference

Europe PubMed Central

18 August 2017

Proceedings of the National Academy of Sciences of the United States of America

1 reference

Europe PubMed Central

18 August 2017

101

1 reference

Europe PubMed Central

18 August 2017

9

1 reference

Europe PubMed Central

18 August 2017

2673-2677

1 reference

Europe PubMed Central

18 August 2017

Quantum mechanics simulation of protein dynamics on long timescale.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=374194

29 September 2017

Generalized Gradient Approximation Made Simple

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=374194

29 September 2017

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=374194

29 September 2017

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=374194

29 September 2017

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

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0308730100

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0308730100

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/10.1073%2FPNAS.0308730100

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0308730100

21 January 2018

Ground-state correlation energies for atomic ions with 3 to 18 electrons

1 reference

https://pubmed.ncbi.nlm.nih.gov/14981235

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Tight bound and convexity constraint on the exchange-correlation-energy functional in the low-density limit, and other formal tests of generalized-gradient approximations

1 reference

https://pubmed.ncbi.nlm.nih.gov/14981235

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Ground-state correlation energies for two- to ten-electron atomic ions.

1 reference

https://pubmed.ncbi.nlm.nih.gov/14981235

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Pair interactions of rare-gas atoms as a test of exchange-energy-density functionals in regions of large density gradients

1 reference

https://pubmed.ncbi.nlm.nih.gov/14981235

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1073/PNAS.0308730100

1 reference

Europe PubMed Central

18 August 2017

2004PNAS..101.2673X

0 references

1 reference

Europe PubMed Central

18 August 2017

1 reference

Europe PubMed Central

18 August 2017

ResearchGate publication ID

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