(Q50087917)

English

Car-Parrinello treatment for an approximate density-functional theory method.

scientific article published in March 2007

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

24 February 2018

http://europepmc.org/abstract/MED/17411104

Car-Parrinello treatment for an approximate density-functional theory method. (English)

1 reference

Europe PubMed Central

PubMed publication ID

24 February 2018

http://europepmc.org/abstract/MED/17411104

object named as

Thomas Heine

3

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Gotthard Seifert

4

object named as

Gotthard Seifert

1 reference

Europe PubMed Central

PubMed publication ID

24 February 2018

author name string

Mathias Rapacioli

1

1 reference

Europe PubMed Central

PubMed publication ID

24 February 2018

http://europepmc.org/abstract/MED/17411104

Robert Barthel

2

1 reference

Europe PubMed Central

PubMed publication ID

24 February 2018

http://europepmc.org/abstract/MED/17411104

language of work or name

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publication date

1 March 2007

1 reference

Europe PubMed Central

PubMed publication ID

24 February 2018

http://europepmc.org/abstract/MED/17411104

Journal of Chemical Physics

1 reference

Europe PubMed Central

PubMed publication ID

24 February 2018

http://europepmc.org/abstract/MED/17411104

126

1 reference

Europe PubMed Central

PubMed publication ID

24 February 2018

http://europepmc.org/abstract/MED/17411104

12

1 reference

Europe PubMed Central

PubMed publication ID

24 February 2018

http://europepmc.org/abstract/MED/17411104

124103

1 reference

Europe PubMed Central

PubMed publication ID

24 February 2018

http://europepmc.org/abstract/MED/17411104

Unified Approach for Molecular Dynamics and Density-Functional Theory

1 reference

https://api.crossref.org/works/10.1063%2F1.2566510

21 January 2018

On-the-fly localization of electronic orbitals in Car-Parrinello molecular dynamics.

1 reference

https://api.crossref.org/works/10.1063%2F1.2566510

21 January 2018

Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

1 reference

https://api.crossref.org/works/10.1063%2F1.2566510

21 January 2018

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

1 reference

https://api.crossref.org/works/10.1063%2F1.2566510

21 January 2018

On the theory underlying the Car-Parrinello method and the role of the fictitious mass parameter.

1 reference

https://api.crossref.org/works/10.1063%2F1.2566510

21 January 2018

Orbital hardness tensors from hydrogen through xenon from Kohn–Sham perturbed orbitals

1 reference

https://api.crossref.org/works/10.1063%2F1.2566510

21 January 2018

Ab initio molecular dynamics with correlated molecular wave functions: Generalized valence bond molecular dynamics and simulated annealing

1 reference

https://api.crossref.org/works/10.1063%2F1.2566510

21 January 2018

Identifiers

10.1063/1.2566510

1 reference

Europe PubMed Central

PubMed publication ID

24 February 2018

http://europepmc.org/abstract/MED/17411104

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

24 February 2018

http://europepmc.org/abstract/MED/17411104

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