(Q51139040)

English

Hybrid exchange-correlation functional for core, valence, and Rydberg excitations: core-valence-Rydberg B3LYP.

scientific article published in August 2006

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Europe PubMed Central

PubMed publication ID

30 March 2018

http://europepmc.org/abstract/MED/16942275

Hybrid exchange-correlation functional for core, valence, and Rydberg excitations: core-valence-Rydberg B3LYP. (English)

1 reference

Europe PubMed Central

PubMed publication ID

30 March 2018

http://europepmc.org/abstract/MED/16942275

3

1 reference

Europe PubMed Central

PubMed publication ID

30 March 2018

http://europepmc.org/abstract/MED/16942275

author name string

Ayako Nakata

1

1 reference

Europe PubMed Central

PubMed publication ID

30 March 2018

http://europepmc.org/abstract/MED/16942275

Yutaka Imamura

2

1 reference

Europe PubMed Central

PubMed publication ID

30 March 2018

http://europepmc.org/abstract/MED/16942275

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publication date

1 August 2006

1 reference

Europe PubMed Central

PubMed publication ID

30 March 2018

http://europepmc.org/abstract/MED/16942275

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

30 March 2018

http://europepmc.org/abstract/MED/16942275

125

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Europe PubMed Central

PubMed publication ID

30 March 2018

http://europepmc.org/abstract/MED/16942275

6

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Europe PubMed Central

PubMed publication ID

30 March 2018

http://europepmc.org/abstract/MED/16942275

64109

1 reference

Europe PubMed Central

PubMed publication ID

30 March 2018

http://europepmc.org/abstract/MED/16942275

Excitations in time-dependent density-functional theory.

1 reference

https://api.crossref.org/works/10.1063%2F1.2227379

21 January 2018

A long-range-corrected time-dependent density functional theory.

1 reference

https://api.crossref.org/works/10.1063%2F1.2227379

21 January 2018

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

https://api.crossref.org/works/10.1063%2F1.2227379

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%2F1.2227379

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.2227379

21 January 2018

Time-dependent density functional theory calculations for core-excited states: assessment of standard exchange-correlation functionals and development of a novel hybrid functional.

1 reference

https://api.crossref.org/works/10.1063%2F1.2227379

21 January 2018

A new mixing of Hartree–Fock and local density‐functional theories

1 reference

https://api.crossref.org/works/10.1063%2F1.2227379

21 January 2018

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

1 reference

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21 January 2018

Self-Consistent Field Theory for Open Shells of Electronic Systems

1 reference

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21 January 2018

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

1 reference

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21 January 2018

Identifiers

10.1063/1.2227379

1 reference

Europe PubMed Central

PubMed publication ID

30 March 2018

http://europepmc.org/abstract/MED/16942275

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

30 March 2018

http://europepmc.org/abstract/MED/16942275

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