Maria Hellgren
Maria Hellgren
IMPMC, Sorbonne University, Paris
Adresse e-mail validée de upmc.fr
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Correlation potential in density functional theory at the GWA level: Spherical atoms
M Hellgren, U von Barth
Physical Review B 76 (7), 075107, 2007
912007
Discontinuities of the exchange-correlation kernel and charge-transfer excitations in time-dependent density functional theory
M Hellgren, EKU Gross
Physical Review A 85, 022514, 2012
802012
Bond breaking and bond formation: how electron correlation is captured in many-body perturbation theory and density-functional theory
F Caruso, D Rohr, M Hellgren, X Ren, P Rinke, A Rubio, M Scheffler
Physical Review Letters 110 (14), 146403, 2013
762013
Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation
M Hellgren, DR Rohr, EKU Gross
Journal of Chemical Physics 136 (3), 034106, 2012
722012
Linear density response function within the time-dependent exact-exchange approximation
M Hellgren, U von Barth
Physical Review B 78 (11), 115107, 2008
672008
Correlation energy functional and potential from time-dependent exact-exchange theory
M Hellgren, U Von Barth
The Journal of chemical physics 132 (4), 044101, 2010
612010
Exact-exchange kernel of time-dependent density functional theory: Frequency dependence and photoabsorption spectra of atoms
M Hellgren, U von Barth
The Journal of chemical physics 131 (4), 044110, 2009
482009
Static correlation and electron localization in molecular dimers from the self-consistent RPA and approximation
M Hellgren, F Caruso, DR Rohr, X Ren, A Rubio, M Scheffler, P Rinke
Physical Review B 91 (16), 165110, 2015
472015
Critical Role of the Exchange Interaction for the Electronic Structure and Charge-Density-Wave Formation in
M Hellgren, J Baima, R Bianco, M Calandra, F Mauri, L Wirtz
Physical review letters 119 (17), 176401, 2017
442017
Correlation energy within exact-exchange adiabatic connection fluctuation-dissipation theory: Systematic development and simple approximations
N Colonna, M Hellgren, S de Gironcoli
Physical Review B 90 (12), 125150, 2014
352014
Optimal control of strong-field ionization with time-dependent density-functional theory
M Hellgren, E Räsänen, EKU Gross
Physical Review A 88 (1), 013414, 2013
342013
Discontinuous functional for linear-response time-dependent density-functional theory: The exact-exchange kernel and approximate forms
M Hellgren, EKU Gross
Physical Review A 88 (5), 052507, 2013
232013
Beyond the random phase approximation with a local exchange vertex
M Hellgren, N Colonna, S De Gironcoli
Physical Review B 98 (4), 045117, 2018
172018
Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory
FG Eich, M Hellgren
The Journal of chemical physics 141 (22), 224107, 2014
172014
Molecular bonding with the RPAx: From weak dispersion forces to strong correlation
N Colonna, M Hellgren, S De Gironcoli
Physical Review B 93 (19), 195108, 2016
122016
Effect of discontinuities in Kohn-Sham-based chemical reactivity theory
M Hellgren, EKU Gross
Journal of chemical physics 136, 114102, 2012
102012
van der Waals forces stabilize low-energy polymorphism in : Implications for the crystallization anomaly
G Ferlat, M Hellgren, FX Coudert, H Hay, F Mauri, M Casula
Physical Review Materials 3 (6), 063603, 2019
42019
Strong Correlation and Charge Localization in Kohn–Sham Theories with Fractional Orbital Occupations
M Hellgren, T Gould
Journal of chemical theory and computation 15 (9), 4907-4914, 2019
32019
Local vertex corrections from exchange-correlation kernels with a discontinuity
M Hellgren
The European Physical Journal B 91 (7), 155, 2018
32018
Exciton Peierls mechanism and universal many-body gaps in carbon nanotubes
M Hellgren, J Baima, A Acheche
Physical Review B 98 (20), 201103, 2018
12018
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