Density Functional Theory for Molecular and Periodic Systems Using Density Fitting and Continuous Fast Multipole Methods-Reference-Cited by-同舟云学术

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Density Functional Theory for Molecular and Periodic Systems Using Density Fitting and Continuous Fast Multipole Methods

Published:2015-06-11 Issue:7 Volume:11 Page:3029-3041
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Łazarski Roman¹,Burow Asbjörn M.²,Sierka Marek¹

Affiliation:

1. Otto-Schott-Institut für Materialforschung (OSIM), Friedrich-Schiller-Universität Jena, Löbdergraben 32, D-07743 Jena, Germany

2. Chair of Theoretical Chemistry, Department of Chemistry, University of Munich (LMU), Butenandtstrasse 7, D-81377 Munich, Germany

Funder

Verband der Chemischen Industrie

TURBOMOLE GmbH

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00252

Reference54 articles.

1. Quantum Chemistry of Solids

2. Linear-scaling density-functional theory with Gaussian orbitals and periodic boundary conditions: Efficient evaluation of energy and forces via the fast multipole method

3. CRYSTAL14 : A program for the ab initio investigation of crystalline solids

4. Achieving linear scaling in exchange-correlation density functional quadratures

5. Efficient molecular numerical integration schemes

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