Linear-scaling density-functional theory with Gaussian orbitals and periodic boundary conditions: Efficient evaluation of energy and forces via the fast multipole method-Reference-Cited by-同舟云学术

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

Published:2000-06-15 Issue:24 Volume:61 Page:16440-16453
ISSN:0163-1829
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Kudin Konstantin N.,Scuseria Gustavo E.

Publisher

American Physical Society (APS)

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.61.16440/fulltext

Reference75 articles.

1. Density‐functional thermochemistry. I. The effect of the exchange‐only gradient correction

2. Comparison of coupled‐cluster results with a hybrid of Hartree–Fock and density functional theory

3. Linear Scaling Density Functional Calculations with Gaussian Orbitals

4. Linear scaling second-order Moller–Plesset theory in the atomic orbital basis for large molecular systems

5. Low-order scaling local electron correlation methods. I. Linear scaling local MP2

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