(Q45048292)

English

Effect of time-dependent basis functions and their superposition error on atom-centered density matrix propagation (ADMP): connections to wavelet theory of multiresolution analysis

scientific article published in September 2004

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

8 December 2017

Effect of time-dependent basis functions and their superposition error on atom-centered density matrix propagation (ADMP): connections to wavelet theory of multiresolution analysis (English)

1 reference

Europe PubMed Central

PubMed publication ID

8 December 2017

wavelet analysis

0 references

Srinivasan S Iyengar

1

1 reference

Europe PubMed Central

PubMed publication ID

8 December 2017

author name string

Michael J Frisch

2

1 reference

Europe PubMed Central

PubMed publication ID

8 December 2017

language of work or name

0 references

publication date

1 September 2004

1 reference

Europe PubMed Central

PubMed publication ID

8 December 2017

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

8 December 2017

121

1 reference

Europe PubMed Central

PubMed publication ID

8 December 2017

11

1 reference

Europe PubMed Central

PubMed publication ID

8 December 2017

5061-5070

1 reference

Europe PubMed Central

PubMed publication ID

8 December 2017

Unified Approach for Molecular Dynamics and Density-Functional Theory

1 reference

https://api.crossref.org/works/10.1063%2F1.1780157

21 January 2018

Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients

1 reference

https://api.crossref.org/works/10.1063%2F1.1780157

21 January 2018

Towards an assessment of the accuracy of density functional theory for first principles simulations of water

1 reference

https://api.crossref.org/works/10.1063%2F1.1780157

21 January 2018

Analytic Properties of Bloch Waves and Wannier Functions

1 reference

https://api.crossref.org/works/10.1063%2F1.1780157

21 January 2018

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

1 reference

https://api.crossref.org/works/10.1063%2F1.1780157

21 January 2018

Lagrange wavelets for signal processing

1 reference

https://api.crossref.org/works/10.1063%2F1.1780157

21 January 2018

Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

1 reference

https://api.crossref.org/works/10.1063%2F1.1780157

21 January 2018

Molecular dynamics simulations at constant pressure and/or temperature

1 reference

https://api.crossref.org/works/10.1063%2F1.1780157

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%2F1.1780157

21 January 2018

Spin eigenstate-dependent Hartree—Fock molecular dynamics

1 reference

https://api.crossref.org/works/10.1063%2F1.1780157

21 January 2018

Identifiers

10.1063/1.1780157

1 reference

Europe PubMed Central

PubMed publication ID

8 December 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

8 December 2017

ResearchGate publication ID

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