Lista de obras - Francesco A Evangelista - Dominio Público Uruguay

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

artículo científico publicado en 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

artículo científico publicado en 2020

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

artículo científico publicado en 2017

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

artículo científico publicado en 2017

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

artículo científico publicado en 2016

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

artículo científico publicado en 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

artículo científico publicado en 2022

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

artículo científico publicado en 2016

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

artículo científico publicado en 2020

Direct triplet sensitization of oligothiophene by quantum dots

artículo científico publicado en 2019

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

artículo científico publicado en 2018

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

artículo científico publicado en 2017

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

artículo científico publicado en 2019

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

artículo científico publicado en 2018

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

artículo científico publicado en 2018

Exact parameterization of fermionic wave functions via unitary coupled cluster theory

artículo científico publicado en 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.

artículo científico publicado en 2017

Perspective: Multireference coupled cluster theories of dynamical electron correlation

artículo científico publicado en 2018

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

artículo científico publicado en 2017

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

artículo científico publicado en 2020

Psi4: an open-source ab initio electronic structure program

article

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

artículo científico publicado en 2018

Second-Order Active-Space Embedding Theory

artículo científico publicado en 2022

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

artículo científico publicado en 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 ⬇️

artículo científico publicado en 2016

Lista de obras de Francesco A Evangelista

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

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

A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons

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

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

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

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

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

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

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

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

Direct triplet sensitization of oligothiophene by quantum dots

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

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

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

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

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

Exact parameterization of fermionic wave functions via unitary coupled cluster theory

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

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

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

Perspective: Multireference coupled cluster theories of dynamical electron correlation

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

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

Psi4: an open-source ab initio electronic structure program

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

Second-Order Active-Space Embedding Theory

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

Time dependent adaptive configuration interaction applied to attosecond charge migration

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