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Theoretical and Computational Chemistry

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multireference perturbation theory

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2 results in Keywords: multireference perturbation theory

Theoretical and Computational Chemistry

Regularized CASPT2: an intruder-state-free approach

Stefano Battaglia, Lina Fransén, Ignacio Fdez. Galván, Roland Lindh

Version 2 posted 28 June 2022

482

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Theoretical and Computational Chemistry

Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs

Yann Garniron, Thomas Applencourt, Kevin Gasperich, Anouar Benali, Anthony Ferte, Julien Paquier, Barthelemy Pradines, Roland Assaraf, Peter Reinhardt, Julien Toulouse, Pierrette Barbaresco, Nicolas Renon, Gregoire David, Jean-Paul Malrieu, Mickael Veril, Michel Caffarel, Pierre-Francois Loos, Emmanuel Giner, Anthony Scemama

Version 3 posted 24 April 2019

1,499

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