A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems

Authors

Holger Kruse

Published

April 16, 2012

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Journal

The Journal of Chemical Physics

Topics

DOI

10.1063/1.3700154

A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems

Authors

Holger Kruse

Published

April 16, 2012

Add a comment...

Supporters

Support the authors with ResearchCoin

Journal

The Journal of Chemical Physics

Topics

DOI

10.1063/1.3700154

Paper

Paper

Paper

Paper

A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems

Supporters

Journal

Topics

DOI

A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems

Supporters

Journal

Topics

DOI