(Q83366555)

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21 January 2020

title

Is the uniform electron gas limit important for small Ag clusters? Assessment of different density functionals for Ag(n) (n < or = 4) (English)

1 reference

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21 January 2020

4

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21 January 2020

author name string

Shuang Zhao

1

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21 January 2020

Zhen-Hua Li

2

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21 January 2020

Wen-Ning Wang

3

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21 January 2020

Kang-Nian Fan

5

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21 January 2020

Yaoming Xie

6

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21 January 2020

Henry F Schaefer

7

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21 January 2020

publication date

1 May 2006

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Journal of Chemical Physics

21 January 2020

published in

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21 January 2020

volume

124

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21 January 2020

issue

18

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21 January 2020

page(s)

184102

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Tests of second-generation and third-generation density functionals for thermochemical kineticsElectronic supplementary information (ESI) available: Mean errors for pure and hybrid DFT methods. See http://www.rsc.org/suppdata/cp/b3/b316260e/

21 January 2020

cites work

1 reference

Development and Assessment of a New Hybrid Density Functional Model for Thermochemical Kinetics

21 January 2018

1 reference

Assessment of the OLYP and O3LYP density functionals for first-row transition metals

21 January 2018

1 reference

Databases for Transition Element Bonding: Metal−Metal Bond Energies and Bond Lengths and Their Use To Test Hybrid, Hybrid Meta, and Meta Density Functionals and Generalized Gradient Approximations

21 January 2018

1 reference

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

21 January 2018

1 reference

Density-functional exchange-energy approximation with correct asymptotic behavior

21 January 2018

1 reference

Ab initio study of the low-lying electronic states of Ag3−, Ag3, and Ag3+: A coupled-cluster approach

21 January 2018

1 reference

Ab initio relativistic pseudopotential study of small silver and gold sulfide clusters (M2S)n, n=1 and 2

21 January 2018

1 reference

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

21 January 2018

1 reference

Generalized gradient approximation for the exchange-correlation hole of a many-electron system

21 January 2018

1 reference

Meta-generalized gradient approximation: explanation of a realistic nonempirical density functional

21 January 2018

1 reference

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

21 January 2018

1 reference

Geometrical and Electronic Structures of Gold, Silver, and Gold−Silver Binary Clusters: Origins of Ductility of Gold and Gold−Silver Alloy Formation

21 January 2018

1 reference

Development and assessment of new exchange-correlation functionals

21 January 2018

1 reference

Hybrid exchange-correlation functional determined from thermochemical data and ab initio potentials

21 January 2018

1 reference

New generalized gradient approximation functionals

21 January 2018

1 reference

A new parametrization of exchange–correlation generalized gradient approximation functionals

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2193512

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21 January 2020

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