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Volume 113, 2015 - Issue 13-14: Special Issue in Honour of Nicholas C. Handy

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Wavefunction stability analysis without analytical electronic Hessians: application to orbital-optimised second-order Møller–Plesset theory and VV10-containing density functionals

Shaama Mallikarjun SharadaDepartment of Chemical and Biomolecular Engineering, University of California, Berkeley, CA, USAView further author information

David StückDepartment of Chemistry, University of California, Berkeley, CA, USA;Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USAView further author information

Eric J. SundstromDepartment of Chemistry, University of California, Berkeley, CA, USA;Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USAView further author information

Alexis T. BellDepartment of Chemical and Biomolecular Engineering, University of California, Berkeley, CA, USA;Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USAView further author information

Martin Head-GordonDepartment of Chemistry, University of California, Berkeley, CA, USA;Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USACorrespondence[email protected]
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Pages 1802-1808 | Received 16 Jan 2015, Accepted 28 Jan 2015, Published online: 02 Mar 2015

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https://doi.org/10.1080/00268976.2015.1014442
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Wavefunction stability analysis without analytical electronic Hessians: application to orbital-optimised second-order Møller–Plesset theory and VV10-containing density functionals

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Wavefunction stability analysis without analytical electronic Hessians: application to orbital-optimised second-order Møller–Plesset theory and VV10-containing density functionals

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