Perspective: Methods for large-scale density functional calculations on metallic systems.

about

Perspective: Methods for large-scale density functional calculations on metallic systems.

Item

http://www.wikidata.org/entity/Q38781810

description

2016 nî lūn-bûn

@nan

2016年の論文

@ja

2016年論文

@yue

2016年論文

@zh-hant

2016年論文

@zh-hk

2016年論文

@zh-mo

2016年論文

@zh-tw

2016年论文

@wuu

2016年论文

@zh

2016年论文

@zh-cn

name

Perspective: Methods for large-scale density functional calculations on metallic systems.

@en

type

Item

label

Perspective: Methods for large-scale density functional calculations on metallic systems.

@en

prefLabel

Perspective: Methods for large-scale density functional calculations on metallic systems.

@en

P1476

Perspective: Methods for large-scale density functional calculations on metallic systems.

@en

P2093

Chris-Kriton Skylaris

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

David Thompsett

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

Jolyon Aarons

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

Misbah Sarwar

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

P2860

Solution of the Schrödinger Equation in Periodic Lattices with an Application to Metallic Lithium

Inhomogeneous Electron Gas

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

Special points for Brillouin-zone integrations

Introducing ONETEP: linear-scaling density functional simulations on parallel computers

The Active Phase of Palladium during Methane Oxidation.

Nanostructures in biodiagnostics.

Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters.

A variational method for density functional theory calculations on metallic systems with thousands of atoms.

Daubechies wavelets as a basis set for density functional pseudopotential calculations.

P304

220901

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

P31

scholarly article

P356

10.1063/1.4972007

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

P407

English

P433

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

P478

145

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

P577

2016-12-01T00:00:00Z

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

P698

27984887

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