Multipole-based distance-dependent screening of Coulomb integrals-Reference-Cited by-同舟云学术

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Multipole-based distance-dependent screening of Coulomb integrals

Published:2019-08-28 Issue:8 Volume:151 Page:084111
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Irmler Andreas¹^ORCID,Pauly Fabian²³^ORCID

Affiliation:

1. Institute for Theoretical Physics, TU Wien, Wiedner Hauptstraße 8-10/136, 1040 Vienna, Austria

2. Okinawa Institute of Science and Technology Graduate University, Onna-son, Okinawa 904-0495, Japan

3. Department of Physics, University of Konstanz, 78457 Konstanz, Germany

Funder

Deutsche Forschungsgemeinschaft

Okinawa Institute of Science and Technology Graduate University

Carl-Zeiss-Stiftung

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5111054

Reference31 articles.

1. Improvements on the direct SCF method

2. Derivation and efficient implementation of the fast multipole method

3. The continuous fast multipole method

4. A fast algorithm for particle simulations

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1. Efficient treatment of relativistic effects with periodic density functional methods: Energies, gradients, and stress tensors;Physical Review B;2024-04-23

2. An efficient implementation of the GOSTSHYP pressure model by applying shell-bounding Gaussian 1-electron-3-center integral screening;The Journal of Chemical Physics;2022-11-14

3. Speeding up density fitting Hartree–Fock calculations with multipole approximations;Molecular Physics;2020-06-05

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