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List of works by Marika Savarese

Accuracy of TD-DFT Geometries: A Fresh Look

scientific article published on 22 June 2018

Comparing the performance of TD-DFT and SAC-CI methods in the description of excited states potential energy surfaces: An excited state proton transfer reaction as case study.

scientific article published in May 2017

Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionals.

scientific article published on 10 April 2017

Free Energy Profiles of Proton Transfer Reactions: Density Functional Benchmark from Biased Ab Initio Dynamics

scientific article published on 07 February 2022

Metrics for Molecular Electronic Excitations: A Comparison between Orbital- and Density-Based Descriptors.

scientific article published on 12 September 2017

Modeling the Electron Transfer Chain in an Artificial Photosynthetic Machine

scientific article published on 03 November 2020

Range-Separated Double-Hybrid Functional from Nonempirical Constraints

scientific article published on 12 July 2018

Speed-Up of the Excited-State Benchmarking: Double-Hybrid Density Functionals as Test Cases.

scientific article published on 4 October 2017

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