A novel correction scheme for DFT: a combined vdW-DF/CCSD(T) approach.

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The ADOR mechanism for the synthesis of new zeolites.A first principles study of CO2 adsorption on α-SiO2(001) surfaces

P2860

Q34475272-50AAC28A-7B6D-47FA-8E58-BCD7228F7939 Q57702236-CACD1785-A6AA-4997-8AD6-7548B74C8914

P2860

A novel correction scheme for DFT: a combined vdW-DF/CCSD(T) approach.

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http://www.wikidata.org/entity/Q48941258

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2013 nî lūn-bûn

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2013年の論文

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2013年学术文章

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2013年学术文章

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2013年学术文章

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2013年学术文章

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A novel correction scheme for DFT: a combined vdW-DF/CCSD

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A novel correction scheme for DFT: a combined vdW-DF/CCSD(T) approach.

@en

type

Item

label

A novel correction scheme for DFT: a combined vdW-DF/CCSD

@nl

A novel correction scheme for DFT: a combined vdW-DF/CCSD(T) approach.

@en

prefLabel

A novel correction scheme for DFT: a combined vdW-DF/CCSD

@nl

A novel correction scheme for DFT: a combined vdW-DF/CCSD(T) approach.

@en

P1476

A novel correction scheme for DFT: a combined vdW-DF/CCSD(T) approach

@en

P2093

Ota Bludský

http://www.w3.org/2001/XMLSchema#string

P2860

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

Interatomic methods for the dispersion energy derived from the adiabatic connection fluctuation-dissipation theorem.

Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory.

Assessment of a Nonlocal Correction Scheme to Semilocal Density Functional Theory Methods.

A density functional for sparse matter.

DFT/CC investigation of physical adsorption on a graphite (0001) surface.

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu.

Benchmark calculations of water-acene interaction energies: Extrapolation to the water-graphene limit and assessment of dispersion-corrected DFT methods.

An efficient algorithm for the density-functional theory treatment of dispersion interactions.

Intermolecular pi-pi interactions in solids.

P304

034115

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P31

scholarly article

P356

10.1063/1.4813826

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P407

English

P433

http://www.w3.org/2001/XMLSchema#string

P478

139

http://www.w3.org/2001/XMLSchema#string

P50

Jan Hermann

P577

2013-07-01T00:00:00Z

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P698

23883018

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A novel correction scheme for DFT: a combined vdW-DF/CCSD(T) approach.

about

P2860

P2860

A novel correction scheme for DFT: a combined vdW-DF/CCSD(T) approach.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P698