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List of works by Francesco A Evangelista

<scp>QForte</scp>: An Efficient State-Vector Emulator and Quantum Algorithms Library for Molecular Electronic Structure

scientific article published on 22 February 2022

A Combined Selected Configuration Interaction and Many-Body Treatment of Static and Dynamical Correlation in Oligoacenes

scientific article published on 15 November 2018

A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons

scientific article published on 06 March 2020

A low-cost approach to electronic excitation energies based on the driven similarity renormalization group

scientific article

Adaptive Configuration Interaction for Computing Challenging Electronic Excited States with Tunable Accuracy.

scientific article published on 11 September 2017

An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory ⬇️

scientific article published in May 2016

Analytic Energy Gradients for the Driven Similarity Renormalization Group Multireference Second-Order Perturbation Theory

scientific article published on 29 November 2021

Analytic gradients for the single-reference driven similarity renormalization group second-order perturbation theory

scientific article published on 01 July 2019

Automatic derivation of many-body theories based on general Fermi vacua

scientific article published in 2022

Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy ⬇️

scientific article published in April 2016

Connected three-body terms in single-reference unitary many-body theories: Iterative and perturbative approximations

scientific article published on 01 June 2020

Direct triplet sensitization of oligothiophene by quantum dots

scientific article published on 13 May 2019

Driven similarity renormalization group for excited states: A state-averaged perturbation theory

scientific article

Driven similarity renormalization group: Third-order multireference perturbation theory ⬇️

scientific article published in March 2017

Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods

scientific article published on 01 April 2019

Erratum: "Driven similarity renormalization group: Third-order multireference perturbation theory" [J. Chem. Phys. 146, 124132 (2017)].

scientific article

Erratum: "Towards numerically robust multireference theories: The driven similarity renormalization group truncated to one- and two-body operators" [J. Chem. Phys. 144, 164114 (2016)].

scientific article

Exact parameterization of fermionic wave functions via unitary coupled cluster theory

scientific article published on 01 December 2019

Exploring Hilbert space on a budget: Novel benchmark set and performance metric for testing electronic structure methods in the regime of strong correlation

scientific article published on 01 September 2020

Improving the Efficiency of the Multireference Driven Similarity Renormalization Group via Sequential Transformation, Density Fitting, and the Noninteracting Virtual Orbital Approximation

scientific article published on 31 July 2019

Localized Intrinsic Valence Virtual Orbitals as a Tool for the Automatic Classification of Core Excited States.

scientific article

Perspective: Multireference coupled cluster theories of dynamical electron correlation

scientific article published on 01 July 2018

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

scientific article

Psi4 1.4: Open-source software for high-throughput quantum chemistry

scientific article published on 01 May 2020

Psi4: an open-source ab initio electronic structure program

article

Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid Development.

scientific article

Second-Order Active-Space Embedding Theory

scientific article published on 17 February 2022

Theoretical Calculation of Core-Excited States along Dissociative Pathways beyond Second-Order Perturbation Theory

scientific article published on 29 December 2021

Time dependent adaptive configuration interaction applied to attosecond charge migration

scientific article published on 01 November 2019

Towards numerically robust multireference theories: The driven similarity renormalization group truncated to one- and two-body operators ⬇️

scientific article published in April 2016

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