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David Casanova

5PUBLICATIONS

132CO-AUTHORS

Theoretical quantum chemistryRadiation and matterStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterOptical properties of materials

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Publications (5)

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|Sep 02, 2021

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.

Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng

|Apr 03, 2021

Short-range DFT energy correction to multiconfigurational wave functions for open-shell systems.

José Aarón Rodríguez-Jiménez, Abel Carreras, David Casanova

|Dec 09, 2020

Calculation of spin-orbit couplings using RASCI spinless one-particle density matrices: Theory and applications.

Abel Carreras, Hanjie Jiang, Pavel Pokhilko

|Jun 03, 2019

Singlet fission in spiroconjugated dimers.

María E Sandoval-Salinas, Abel Carreras, Juan Casado

|Apr 02, 2018

Short-range density functional correlation within the restricted active space CI method.

David Casanova

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Frequent Collaborators

3 joint publications

Abel Carreras

2 joint publications

Hanjie Jiang

2 joint publications

Anna I Krylov

2 joint publications

Paul M Zimmerman

1 joint publications

María E Sandoval-Salinas

1 joint publications

Juan Casado

1 joint publications

Pavel Pokhilko

1 joint publications

José Aarón Rodríguez-Jiménez

1 joint publications

Xintian Feng

1 joint publications

Yuezhi Mao

Frequent Collaborators

3 joint publications

Abel Carreras

2 joint publications

Hanjie Jiang

2 joint publications

Anna I Krylov

2 joint publications

Paul M Zimmerman

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