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7 results in Keywords: configuration interaction

Theoretical and Computational Chemistry

Working Paper

A New Release of MOPAC Incorporating the INDO/S Semiempirical Model with CI Excited States

Rebecca Gieseking

Version 1 posted 13 July 2020

686

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Theoretical and Computational Chemistry

Working Paper

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

748

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Theoretical and Computational Chemistry

Working Paper

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

1,462

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Theoretical and Computational Chemistry

Working Paper

Efficient machine learning configuration interaction for bond breaking problems

Madhumita Rano, Debashree Ghosh

Version 1 posted 28 July 2022

322

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Theoretical and Computational Chemistry

Working Paper

Transition probability approach for direct calculation of coefficients of Configuration Interaction wave function

Arijit Bag

Version 1 posted 15 September 2017

1,046

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Nanoscience

Working Paper

Valleytronic full configuration-interaction approach: An application to the excitation spectra of Si double-dot qubits

Constantine Yannouleas, Uzi Landman

Version 1 posted 05 September 2022

106

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Physical Chemistry

Working Paper

Shining light on inverted singlet-triplet emitters

Matteo Bedogni, Davide Giavazzi, Francesco Di Maiolo, Anna Painelli

Version 1 posted 16 August 2023

377

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7 results in configuration interaction in Keywords: configuration interaction

A New Release of MOPAC Incorporating the INDO/S Semiempirical Model with CI Excited States

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

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

Efficient machine learning configuration interaction for bond breaking problems

Transition probability approach for direct calculation of coefficients of Configuration Interaction wave function

Valleytronic full configuration-interaction approach: An application to the excitation spectra of Si double-dot qubits

Shining light on inverted singlet-triplet emitters

7 results in Keywords: configuration interaction