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electron correlation

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2 results in Keywords: electron correlation

Theoretical and Computational Chemistry

Regularized Second Order Møller-Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Compute Cost

James Shee, Matthias Loipersberger, Adam Rettig, Joonho Lee, Martin Head-Gordon

Version 1 posted 25 October 2021

664

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Theoretical and Computational Chemistry

Permanent electric dipole moment of diatomic molecules using relativistic extended-coupled-cluster method

Haimyapriya Buragohain, Kaushik Talukdar, Malaya K. Nayak

Version 1 posted 05 December 2023

142

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