Maria Hellgren - Dissemin

All papers authored by Maria Hellgren

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2023 Maria Hellgren

, Lucas Baguet

Strengths and limitations of the adiabatic exact-exchange kernel for total energy calculations

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2022 Maria Hellgren

, Damian Contant

, Thomas Pitts, Michele Casula

High-pressure II-III phase transition in solid hydrogen: Insights from state-of-the-art ab initio calculations

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2021 Maria Hellgren

, Lucas Baguet

Random phase approximation with exchange for an accurate description of crystalline polymorphism

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Maria Hellgren

, Lucas Baguet

, Matteo Calandra, Francesco Mauri

, Ludger Wirtz

Electronic structure of TiSe2 from a quasi-self-consistent G0W0 approach

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2019 Maria Hellgren

, Tim Gould

Strong Correlation and Charge Localization in Kohn–Sham Theories with Fractional Orbital Occupations

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Guillaume Ferlat, Maria Hellgren

, François-Xavier Coudert, Henri Hay, Francesco Mauri

, Michele Casula

van der Waals forces stabilize low-energy polymorphism in B2O3 : Implications for the crystallization anomaly

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2018 Maria Hellgren

, Jacopo Baima, Anissa Acheche

Exciton Peierls mechanism and universal many-body gaps in carbon nanotubes

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Maria Hellgren

, Nicola Colonna, Stefano de Gironcoli

Beyond the random phase approximation with a local exchange vertex

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Maria Hellgren

Local vertex corrections from exchange-correlation kernels with a discontinuity

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2017 Maria Hellgren

, Jacopo Baima, Raffaello Bianco, Matteo Calandra, Francesco Mauri

, Ludger Wirtz

Critical Role of the Exchange Interaction for the Electronic Structure and Charge-Density-Wave Formation in TiSe2

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2016 Nicola Colonna, Maria Hellgren

, Stefano de Gironcoli

Publisher's Note: Molecular bonding with the RPAx: From weak dispersion forces to strong correlation [Phys. Rev. B 93, 195108 (2016)]

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2015 Nicola Colonna, Maria Hellgren

, Stefano de Gironcoli

Molecular bonding with the RPAx: from weak dispersion forces to strong correlation

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Maria Hellgren

, Fabio Caruso

, Daniel R. Rohr, Xinguo Ren, Angel Rubio, Matthias Scheffler, Patrick Rinke

Static correlation and electron localization in molecular dimers from the self-consistent RPA andGWapproximation

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2014 F. G. Eich, Maria Hellgren

Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory

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Nicola Colonna, Maria Hellgren

, Stefano de Gironcoli

Correlation energy within exact-exchange adiabatic connection fluctuation-dissipation theory: Systematic development and simple approximations

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2013 Maria Hellgren

, E. K. U. Gross

Discontinuous functional for linear-response time-dependent density-functional theory: The exact-exchange kernel and approximate forms

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Maria Hellgren

, Esa Rasanen

, E. K. U. Gross

Optimal control of strong-field ionization with time-dependent density-functional theory

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Fabio Caruso

, Daniel R. Rohr, Maria Hellgren

, Xinguo Ren, Patrick Rinke, Angel Rubio, Matthias Scheffler

Bond Breaking and Bond Formation: How Electron Correlation is Captured in Many-Body Perturbation Theory and Density-Functional Theory

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2012 Maria Hellgren

, E. K. U. Gross

Effect of discontinuities in Kohn-Sham-based chemical reactivity theory

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2011 Maria Hellgren

, Daniel R. Rohr, E. K. U. Gross

Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation

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All papers authored by Maria Hellgren