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Jacqueline A R Shea

Showing results (1-10 of 8) with videos related to

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The Journal of Chemical Physics|September 9, 2018
Communication: A mean field platform for excited state quantum chemistryJacqueline A R Shea, Eric Neuscamman
Journal of Chemical Theory and Computation|November 16, 2017
Size Consistent Excited States via Algorithmic Transformations between Variational PrinciplesJacqueline A R Shea, Eric Neuscamman
Journal of Chemical Theory and Computation|February 5, 2020
A Generalized Variational Principle with Applications to Excited State Mean Field TheoryJacqueline A R Shea, Elise Gwin, Eric Neuscamman
Journal of Chemical Theory and Computation|August 21, 2020
N<sup>5</sup>-Scaling Excited-State-Specific Perturbation TheoryRachel Clune, Jacqueline A R Shea, Eric Neuscamman
Journal of Chemical Theory and Computation|August 9, 2019
Tracking Excited States in Wave Function Optimization Using Density Matrices and Variational PrinciplesLan Nguyen Tran, Jacqueline A R Shea, Eric Neuscamman
The Journal of Chemical Physics|June 9, 2023
Studying excited-state-specific perturbation theory on the Thiel setRachel Clune, Jacqueline A R Shea, Tarini S Hardikar, et al.
Chemical Research in Toxicology|July 2, 2025
AI-Driven Integration of Transcriptomics, Quantum Mechanics, and Physiology for Predicting Drug-Induced Liver Injury in Data-Limited ScenariosRoshan Bhave, Babatunde Bello, Divesh Bhatt, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 28, 2018
QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solidsJeongnim Kim, Andrew T Baczewski, Todd D Beaudet, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|September 9, 2018
Communication: A mean field platform for excited state quantum chemistryJacqueline A R Shea, Eric Neuscamman
Journal of Chemical Theory and Computation|November 16, 2017
Size Consistent Excited States via Algorithmic Transformations between Variational PrinciplesJacqueline A R Shea, Eric Neuscamman
Journal of Chemical Theory and Computation|February 5, 2020
A Generalized Variational Principle with Applications to Excited State Mean Field TheoryJacqueline A R Shea, Elise Gwin, Eric Neuscamman
Journal of Chemical Theory and Computation|August 21, 2020
N<sup>5</sup>-Scaling Excited-State-Specific Perturbation TheoryRachel Clune, Jacqueline A R Shea, Eric Neuscamman
Journal of Chemical Theory and Computation|August 9, 2019
Tracking Excited States in Wave Function Optimization Using Density Matrices and Variational PrinciplesLan Nguyen Tran, Jacqueline A R Shea, Eric Neuscamman
The Journal of Chemical Physics|June 9, 2023
Studying excited-state-specific perturbation theory on the Thiel setRachel Clune, Jacqueline A R Shea, Tarini S Hardikar, et al.
Chemical Research in Toxicology|July 2, 2025
AI-Driven Integration of Transcriptomics, Quantum Mechanics, and Physiology for Predicting Drug-Induced Liver Injury in Data-Limited ScenariosRoshan Bhave, Babatunde Bello, Divesh Bhatt, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 28, 2018
QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solidsJeongnim Kim, Andrew T Baczewski, Todd D Beaudet, et al.
Pageof 1