A composite ‘density fitting + numerical integration’ approximation for electron-repulsion integrals-Reference-Cited by-同舟云学术

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A composite ‘density fitting + numerical integration’ approximation for electron-repulsion integrals

Published:2013-05-30 Issue:9-11 Volume:111 Page:1129-1142
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Yachmenev Andrey¹,Klopper Wim¹²

Affiliation:

1. a Karlsruhe Institute of Technology (KIT) , Institute of Physical Chemistry, Theoretical Chemistry Group , Karlsruhe , Germany

2. b Karlsruhe Institute of Technology (KIT) , Institute of Nanotechnology, Theoretical Chemistry Group , Karlsruhe , Germany

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2013.800265

Reference74 articles.

1. A unified scheme for the calculation of differentiated and undifferentiated molecular integrals over solid-harmonic Gaussians

2. Multi-electron integrals

3. A multipole acceptability criterion for electronic structure theory

4. Linear and sublinear scaling formation of Hartree–Fock-type exchange matrices

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1. An improved chain of spheres for exchange algorithm;The Journal of Chemical Physics;2021-09-14

2. Assessing the Accuracy of Local Hybrid Density Functional Approximations for Molecular Response Properties;Journal of Chemical Theory and Computation;2021-04-29

3. An improved seminumerical Coulomb and exchange algorithm for properties and excited states in modern density functional theory;The Journal of Chemical Physics;2020-11-14

4. Charge-constrained auxiliary-density-matrix methods for the Hartree–Fock exchange contribution;The Journal of Chemical Physics;2014-09-07

5. Robust fitting techniques in the chain of spheres approximation to the Fock exchange: The role of the complementary space;The Journal of Chemical Physics;2013-09-07

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