(Q45985425)

English

An exact reformulation of the diagonalization step in electronic structure calculations as a set of second order nonlinear equations.

scientific article published in June 2004

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/15268065

An exact reformulation of the diagonalization step in electronic structure calculations as a set of second order nonlinear equations. (English)

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/15268065

Martin Head-Gordon

2

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Martin Head-Gordon

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/15268065

author name string

WanZhen Liang

1

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/15268065

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publication date

1 June 2004

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/15268065

Journal of Chemical Physics

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/15268065

120

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/15268065

22

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/15268065

10379-10384

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/15268065

New Developments in Molecular Orbital Theory

1 reference

https://api.crossref.org/works/10.1063%2F1.1729870

21 January 2018

Density-matrix electronic-structure method with linear system-size scaling

1 reference

https://api.crossref.org/works/10.1063%2F1.1729870

21 January 2018

Efficient linear scaling algorithm for tight-binding molecular dynamics.

1 reference

https://api.crossref.org/works/10.1063%2F1.1729870

21 January 2018

Orbital formulation for electronic-structure calculations with linear system-size scaling

1 reference

https://api.crossref.org/works/10.1063%2F1.1729870

21 January 2018

Unconstrained minimization approach for electronic computations that scales linearly with system size

1 reference

https://api.crossref.org/works/10.1063%2F1.1729870

21 January 2018

ImprovedSCF convergence acceleration

1 reference

https://api.crossref.org/works/10.1063%2F1.1729870

21 January 2018

Linear scaling computation of the Fock matrix. II. Rigorous bounds on exchange integrals and incremental Fock build

1 reference

https://api.crossref.org/works/10.1063%2F1.1729870

21 January 2018

Recent progress in linear scalingab initioelectronic structure techniques

1 reference

https://api.crossref.org/works/10.1063%2F1.1729870

21 January 2018

Nonorthogonal basis sets in quantum mechanics: Representations and second quantization

1 reference

https://api.crossref.org/works/10.1063%2F1.1729870

21 January 2018

Identifiers

10.1063/1.1729870

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/15268065

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

18 December 2017

http://europepmc.org/abstract/MED/15268065

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