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Molecular Physics

An International Journal at the Interface Between Chemistry and Physics

Volume 115, 2017 - Issue 17-18: Molecular Quantum Mechanics, Uppsala, Sweden Meeting June 26 - 1 July 2016

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MQM 2016

Addressing first derivative discontinuities in orbital-optimised opposite-spin scaled second-order perturbation theory with regularisation

Rostam M. RazbanDepartment of Chemistry, University of California, Berkeley, California, 94720View further author information

David StückDepartment of Chemistry, University of California, Berkeley, California, 94720View further author information

Martin Head-GordonDepartment of Chemistry, University of California, Berkeley, California, 94720Correspondence[email protected]
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Pages 2102-2109 | Received 08 Nov 2016, Accepted 09 Jan 2017, Published online: 26 Feb 2017

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https://doi.org/10.1080/00268976.2017.1284355
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