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Theoretical and Computational Chemistry

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Over 3 years

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non-orthogonal

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3 results in Keywords: non-orthogonal

Theoretical and Computational Chemistry

A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction

Hugh G. A. Burton, Alex Thom

Version 1 posted 08 May 2019

747

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Theoretical and Computational Chemistry

Efficient Multi-Configurational Wavefunction Method with Dynamical Correlation Using Non-Orthogonal Configuration Interaction Singles and Doubles (NOCISD)

Jacob Nite, Carlos A. Jimenez-Hoyos

Version 1 posted 20 December 2019

591

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2

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Theoretical and Computational Chemistry

Low-Cost Molecular Excited States from a State-Averaged Resonating Hartree-Fock Approach

Jacob Nite, Carlos A. Jimenez-Hoyos

Version 1 posted 21 March 2019

728

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