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Theoretical and Computational Chemistry

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Abel Carreras

2 results in Authors: Abel Carreras

Theoretical and Computational Chemistry

Calculation of Spin–orbit Couplings Using RASCI Spinless One-Particle Density Matrices: Theory and Applications

Abel Carreras, Hanjie Jiang, Pavel Pokhilko, Anna I. Krylov, Paul M. Zimmerman, David Casanova

Version 1 posted 15 September 2020

421

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Theoretical and Computational Chemistry

Small-occupation density functional correlation energy correction to wavefunction approximations

José Aarón Rodríguez-Jiménez, Abel Carreras, David Casanova

Version 1 posted 04 October 2023

212

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