Paola Gori-Giorgi, Ph.D. - Publications

Affiliations: 
Chemistry Vrije Universiteit Amsterdam, Amsterdam, Netherlands 
Area:
Theoretical Chemistry
Website:
http://paolagorigiorgi.org/

86 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Daas KJ, Kooi DP, Benyahia T, Seidl M, Gori-Giorgi P. Large-Z atoms in the strong-interaction limit of DFT: Implications for gradient expansions and for the Lieb-Oxford bound. The Journal of Chemical Physics. 159. PMID 38112505 DOI: 10.1063/5.0174592  0.394
2023 Daas KJ, Kooi DP, Peters NC, Fabiano E, Della Sala F, Gori-Giorgi P, Vuckovic S. Regularized and Opposite Spin-Scaled Functionals from Møller-Plesset Adiabatic Connection─Higher Accuracy at Lower Cost. The Journal of Physical Chemistry Letters. 8448-8459. PMID 37721318 DOI: 10.1021/acs.jpclett.3c01832  0.738
2023 Gould T, Kooi DP, Gori-Giorgi P, Pittalis S. Electronic Excited States in Extreme Limits via Ensemble Density Functionals. Physical Review Letters. 130: 106401. PMID 36962035 DOI: 10.1103/PhysRevLett.130.106401  0.379
2023 Daas TJ, Fabiano E, Della Sala F, Gori-Giorgi P, Vuckovic S. Correction to "Noncovalent Interactions from Models for the Møller-Plesset Adiabatic Connection". The Journal of Physical Chemistry Letters. 1478. PMID 36744947 DOI: 10.1021/acs.jpclett.3c00264  0.7
2022 Teale AM, Helgaker T, Savin A, Adamo C, Aradi B, Arbuznikov AV, Ayers PW, Baerends EJ, Barone V, Calaminici P, Cancès E, Carter EA, Chattaraj PK, Chermette H, Ciofini I, ... ... Gori-Giorgi P, et al. DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical Chemistry Chemical Physics : Pccp. PMID 36269074 DOI: 10.1039/d2cp02827a  0.697
2022 Śmiga S, Della Sala F, Gori-Giorgi P, Fabiano E. Self-Consistent Implementation of Kohn-Sham Adiabatic Connection Models with Improved Treatment of the Strong-Interaction Limit. Journal of Chemical Theory and Computation. PMID 36094908 DOI: 10.1021/acs.jctc.2c00352  0.458
2022 Daas TJ, Kooi DP, Grooteman AJAF, Seidl M, Gori-Giorgi P. Gradient Expansions for the Large-Coupling Strength Limit of the Møller-Plesset Adiabatic Connection. Journal of Chemical Theory and Computation. PMID 35179386 DOI: 10.1021/acs.jctc.1c01206  0.426
2021 Burton HGA, Marut C, Daas TJ, Gori-Giorgi P, Loos PF. Variations of the Hartree-Fock fractional-spin error for one electron. The Journal of Chemical Physics. 155: 054107. PMID 34364354 DOI: 10.1063/5.0056968  0.329
2021 Daas TJ, Grossi J, Vuckovic S, Musslimani ZH, Kooi DP, Seidl M, Giesbertz KJH, Gori-Giorgi P. Erratum: "Large coupling-strength expansion of the Møller-Plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading terms" [J. Chem. Phys., 153, 214112 (2020)]. The Journal of Chemical Physics. 154: 189901. PMID 34241031 DOI: 10.1063/5.0053838  0.762
2021 Daas TJ, Fabiano E, Della Sala F, Gori-Giorgi P, Vuckovic S. Noncovalent Interactions from Models for the Møller-Plesset Adiabatic Connection. The Journal of Physical Chemistry Letters. 12: 4867-4875. PMID 34003655 DOI: 10.1021/acs.jpclett.1c01157  0.75
2021 Kooi DP, Weckman T, Gori-Giorgi P. Dispersion without Many-Body Density Distortion: Assessment on Atoms and Small Molecules. Journal of Chemical Theory and Computation. PMID 33689322 DOI: 10.1021/acs.jctc.1c00102  0.413
2020 Daas TJ, Grossi J, Vuckovic S, Musslimani ZH, Kooi DP, Seidl M, Giesbertz KJH, Gori-Giorgi P. Large coupling-strength expansion of the Møller-Plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading terms. The Journal of Chemical Physics. 153: 214112. PMID 33291899 DOI: 10.1063/5.0029084  0.785
2020 Brandenburg JG, Burke K, Fromager E, Gatti M, Giarrusso S, Gidopoulos NI, Gori-Giorgi P, Gowland D, Helgaker T, Hodgson MJP, Lacombe L, Levi G, Loos PF, Maitra NT, Maurina Morais E, et al. New approaches to study excited states in density functional theory: general discussion. Faraday Discussions. PMID 33245076 DOI: 10.1039/d0fd90026e  0.678
2020 Fromager E, Gidopoulos N, Gori-Giorgi P, Helgaker T, Loos PF, Malcomson T, Pernal K, Savin A, Truhlar DG, Wibowo M, Yang W. Strong correlation in density functional theory: general discussion. Faraday Discussions. PMID 33241821 DOI: 10.1039/d0fd90025g  0.619
2020 Brandenburg JG, Burke K, Cancio A, Erhard J, Fromager E, Ghosal A, Gidopoulos N, Gori-Giorgi P, Helgaker T, Hourahine B, Jacob CR, Kooi D, Maitra N, Mulay MR, Pernal K, et al. New density-functional approximations and beyond: general discussion. Faraday Discussions. PMID 33232402 DOI: 10.1039/d0fd90023k  0.694
2020 Giarrusso S, Gori-Giorgi P. Correction to "Exchange-Correlation Energy Densities and Response Potentials: Connection between Two Definitions and Analytical Model for the Strong-Coupling Limit of a Stretched Bond". The Journal of Physical Chemistry. A. 124: 9895. PMID 33186050 DOI: 10.1021/acs.jpca.0c09964  0.387
2020 Kooi DP, Gori-Giorgi P. London dispersion forces without density distortion: a path to first principles inclusion in density functional theory. Faraday Discussions. PMID 32969448 DOI: 10.1039/D0Fd00056F  0.554
2020 Grossi J, Musslimani Z, Seidl M, Gori-Giorgi P. Kohn-Sham equations with functionals from the strictly-correlated regime: Investigation with a spectral renormalization method. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 32759484 DOI: 10.1088/1361-648X/Abace2  0.795
2020 Vuckovic S, Fabiano E, Gori-Giorgi P, Burke K. MAP: an MP2 accuracy predictor for weak interactions from adiabatic connection theory. Journal of Chemical Theory and Computation. PMID 32379454 DOI: 10.1021/Acs.Jctc.0C00049  0.761
2020 Giarrusso S, Gori-Giorgi P. Exchange-Correlation Energy Densities and Response Potentials: Connection between Two Definitions and Analytical Model for the Strong-Coupling Limit of a Stretched Bond. The Journal of Physical Chemistry. A. PMID 32118422 DOI: 10.1021/Acs.Jpca.9B10538  0.56
2019 Gerolin A, Grossi J, Gori-Giorgi P. Kinetic correlation functionals from the entropic regularisation of the strictly-correlated electrons problem. Journal of Chemical Theory and Computation. PMID 31855421 DOI: 10.1021/Acs.Jctc.9B01133  0.783
2019 Kooi DP, Gori-Giorgi P. A Variational Approach to London Dispersion Interactions without Density Distortion. The Journal of Physical Chemistry Letters. 1537-1541. PMID 30865464 DOI: 10.1021/Acs.Jpclett.9B00469  0.493
2019 Fabiano E, Śmiga S, Giarrusso S, Daas TJ, Della Sala F, Grabowski I, Gori-Giorgi P. Investigation of the exchange-correlation potentials of functionals based on the adiabatic connection interpolation. Journal of Chemical Theory and Computation. PMID 30620596 DOI: 10.1021/Acs.Jctc.8B01037  0.44
2019 Grossi J, Seidl M, Gori-Giorgi P, Giesbertz KJH. Functional derivative of the zero-point-energy functional from the strong-interaction limit of density-functional theory Physical Review A. 99. DOI: 10.1103/Physreva.99.052504  0.804
2018 Seidl M, Giarrusso S, Vuckovic S, Fabiano E, Gori-Giorgi P. Communication: Strong-interaction limit of an adiabatic connection in Hartree-Fock theory. The Journal of Chemical Physics. 149: 241101. PMID 30599697 DOI: 10.1063/1.5078565  0.787
2018 Kooi DP, Gori-Giorgi P. Local and global interpolations along the adiabatic connection of DFT: a study at different correlation regimes. Theoretical Chemistry Accounts. 137: 166. PMID 30464722 DOI: 10.1007/S00214-018-2354-5  0.513
2018 Giarrusso S, Gori-Giorgi P, Della Sala F, Fabiano E. Erratum: "Assessment of interaction-strength interpolation formulas for gold and silver clusters" [J. Chem. Phys. 148, 134106 (2018)]. The Journal of Chemical Physics. 149: 079902. PMID 30134687 DOI: 10.1063/1.5049751  0.31
2018 Giarrusso S, Vuckovic S, Gori-Giorgi P. Response potential in the strong-interaction limit of DFT: Analysis and comparison with the coupling-constant average. Journal of Chemical Theory and Computation. PMID 29906106 DOI: 10.1021/Acs.Jctc.8B00386  0.761
2018 Vuckovic S, Gori-Giorgi P, Della Sala F, Fabiano E. Restoring Size Consistency of Approximate Functionals Constructed from the Adiabatic Connection. The Journal of Physical Chemistry Letters. PMID 29787273 DOI: 10.1021/Acs.Jpclett.8B01054  0.79
2018 Giarrusso S, Gori-Giorgi P, Della Sala F, Fabiano E. Assessment of interaction-strength interpolation formulas for gold and silver clusters. The Journal of Chemical Physics. 148: 134106. PMID 29626908 DOI: 10.1063/1.5022669  0.418
2018 Giarrusso S, Gori-Giorgi P, Giesbertz KJH. Sum-rules of the response potential in the strongly-interacting limit of DFT The European Physical Journal B. 91. DOI: 10.1140/Epjb/E2018-90301-8  0.523
2018 Gori-Giorgi P, Baerends EJ. Asymptotic nodal planes in the electron density and the potential in the effective equation for the square root of the density The European Physical Journal B. 91. DOI: 10.1140/Epjb/E2018-90225-3  0.461
2017 Vuckovic S, Levy M, Gori-Giorgi P. Augmented potential, energy densities, and virial relations in the weak- and strong-interaction limits of DFT. The Journal of Chemical Physics. 147: 214107. PMID 29221411 DOI: 10.1063/1.4997311  0.798
2017 Grossi J, Kooi DP, Giesbertz KJH, Seidl M, Cohen AJ, Mori-Sanchez P, Gori-Giorgi P. Fermionic statistics in the strongly correlated limit of Density Functional Theory. Journal of Chemical Theory and Computation. PMID 29111724 DOI: 10.1021/Acs.Jctc.7B00998  0.812
2017 Vuckovic S, Gori-Giorgi P. Simple Fully Non-Local Density Functionals for the Electronic Repulsion Energy. The Journal of Physical Chemistry Letters. PMID 28581751 DOI: 10.1021/Acs.Jpclett.7B01113  0.809
2017 Vuckovic S, Irons TJ, Wagner LO, Teale AM, Gori-Giorgi P. Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT. Physical Chemistry Chemical Physics : Pccp. 19: 6169-6183. PMID 28230218 DOI: 10.1039/C6Cp08704C  0.778
2016 Fabiano E, Gori-Giorgi P, Seidl M, Della Sala F. The interaction-strength interpolation method for main-group chemistry: benchmarking, limitations, and perspectives. Journal of Chemical Theory and Computation. PMID 27598984 DOI: 10.1021/Acs.Jctc.6B00713  0.505
2016 Vuckovic S, Irons T, Savin A, Teale AM, Gori-Giorgi P. Exchange-correlation functionals via local interpolation along the adiabatic connection. Journal of Chemical Theory and Computation. PMID 27116427 DOI: 10.1021/Acs.Jctc.6B00177  0.811
2016 Lani G, Di Marino S, Gerolin A, van Leeuwen R, Gori-Giorgi P. The adiabatic strictly-correlated-electrons functional: kernel and exact properties. Physical Chemistry Chemical Physics : Pccp. PMID 26986493 DOI: 10.1039/C6Cp00339G  0.542
2016 Ying Z, Brosco V, Lopez GM, Varsano D, Gori-Giorgi P, Lorenzana J. Anomalous scaling and breakdown of conventional density functional theory methods for the description of Mott phenomena and stretched bonds Physical Review B. 94. DOI: 10.1103/Physrevb.94.075154  0.537
2016 Gori-Giorgi P, Gál T, Baerends EJ. Asymptotic behaviour of the electron density and the Kohn–Sham potential in case of a Kohn–Sham HOMO nodal plane Molecular Physics. 1-12. DOI: 10.1080/00268976.2015.1137643  0.493
2016 Seidl M, Vuckovic S, Gori-Giorgi P. Challenging the Lieb–Oxford bound in a systematic way Molecular Physics. 114: 1076-1085. DOI: 10.1080/00268976.2015.1136440  0.486
2015 Vuckovic S, Wagner LO, Mirtschink A, Gori-Giorgi P. Hydrogen Molecule Dissociation Curve with Functionals Based on the Strictly Correlated Regime. Journal of Chemical Theory and Computation. 11: 3153-62. PMID 26575752 DOI: 10.1021/Acs.Jctc.5B00387  0.792
2015 Malet F, Mirtschink A, Mendl CB, Bjerlin J, Karabulut EÖ, Reimann SM, Gori-Giorgi P. Density-Functional Theory for Strongly Correlated Bosonic and Fermionic Ultracold Dipolar and Ionic Gases. Physical Review Letters. 115: 033006. PMID 26230790 DOI: 10.1103/Physrevlett.115.033006  0.557
2014 Mirtschink A, Umrigar CJ, Morgan JD, Gori-Giorgi P. Energy density functionals from the strong-coupling limit applied to the anions of the He isoelectronic series. The Journal of Chemical Physics. 140: 18A532. PMID 24832340 DOI: 10.1063/1.4871018  0.54
2014 Malet F, Mirtschink A, Giesbertz KJ, Wagner LO, Gori-Giorgi P. Exchange-correlation functionals from the strong interaction limit of DFT: applications to model chemical systems. Physical Chemistry Chemical Physics : Pccp. 16: 14551-8. PMID 24691514 DOI: 10.1039/C4Cp00407H  0.569
2014 Mendl CB, Malet F, Gori-Giorgi P. Wigner localization in quantum dots from Kohn-Sham density functional theory without symmetry breaking Physical Review B. 89. DOI: 10.1103/Physrevb.89.125106  0.498
2014 Wagner LO, Gori-Giorgi P. Electron avoidance: A nonlocal radius for strong correlation Physical Review a - Atomic, Molecular, and Optical Physics. 90. DOI: 10.1103/Physreva.90.052512  0.511
2013 Mirtschink A, Seidl M, Gori-Giorgi P. Derivative discontinuity in the strong-interaction limit of density-functional theory. Physical Review Letters. 111: 126402. PMID 24093282 DOI: 10.1103/Physrevlett.111.126402  0.534
2013 Malet F, Mirtschink A, Cremon JC, Reimann SM, Gori-Giorgi P. Kohn-Sham density functional theory for quantum wires in arbitrary correlation regimes Physical Review B. 87. DOI: 10.1103/Physrevb.87.115146  0.567
2012 Mirtschink A, Seidl M, Gori-Giorgi P. Energy Densities in the Strong-Interaction Limit of Density Functional Theory. Journal of Chemical Theory and Computation. 8: 3097-3107. PMID 26605721 DOI: 10.1021/Ct3003892  0.589
2012 Malet F, Gori-Giorgi P. Strong correlation in Kohn-Sham density functional theory. Physical Review Letters. 109: 246402. PMID 23368350 DOI: 10.1103/Physrevlett.109.246402  0.595
2012 Buttazzo G, De Pascale L, Gori-Giorgi P. Optimal-transport formulation of electronic density-functional theory Physical Review A. 85. DOI: 10.1103/Physreva.85.062502  0.493
2010 Gori-Giorgi P, Seidl M. Density functional theory for strongly-interacting electrons: perspectives for physics and chemistry. Physical Chemistry Chemical Physics : Pccp. 12: 14405-19. PMID 20886144 DOI: 10.1039/C0Cp01061H  0.539
2010 Seidl M, Gori-Giorgi P. Adiabatic connection at negative coupling strengths Physical Review A. 81. DOI: 10.1103/Physreva.81.012508  0.439
2009 Gori-Giorgi P, Vignale G, Seidl M. Electronic Zero-Point Oscillations in the Strong-Interaction Limit of Density Functional Theory. Journal of Chemical Theory and Computation. 5: 743-53. PMID 26609579 DOI: 10.1021/Ct8005248  0.593
2009 Gori-Giorgi P, Seidl M, Vignale G. Density-functional theory for strongly interacting electrons. Physical Review Letters. 103: 166402. PMID 19905711 DOI: 10.1103/Physrevlett.103.166402  0.545
2009 Gori-Giorgi P, Ángyán JG, Savin A. Charge density reconstitution from approximate exchange-correlation holes Canadian Journal of Chemistry. 87: 1444-1450. DOI: 10.1139/V09-104  0.574
2009 Gori-Giorgi P, Seidl M, Vignale G. Density-functional theory for strongly interacting electrons Physical Review Letters. 103. DOI: 10.1103/PhysRevLett.103.166402  0.432
2009 Gori-Giorgi P, Savin A. Range separation combined with the Overhauser model: Application to the H2molecule along the dissociation curve International Journal of Quantum Chemistry. 109: 1950-1961. DOI: 10.1002/Qua.22034  0.694
2009 Gori-Giorgi P, Savin A. Study of the discontinuity of the exchange-correlation potential in an exactly soluble case International Journal of Quantum Chemistry. 109: 2410-2415. DOI: 10.1002/Qua.22021  0.592
2008 Gori-Giorgi P, Seidl M, Savin A. Intracule densities in the strong-interaction limit of density functional theory. Physical Chemistry Chemical Physics : Pccp. 10: 3440-6. PMID 18535727 DOI: 10.1039/B803709B  0.707
2008 Gori-Giorgi P, Savin A. Degeneracy and size consistency in electronic density functional theory Journal of Physics: Conference Series. 117: 012017. DOI: 10.1088/1742-6596/117/1/012017  0.681
2007 Gori-Giorgi P, Savin A. High-Density Limit of Two-Electron Systems:  Results from the Extended Overhauser Approach. Journal of Chemical Theory and Computation. 3: 796-802. PMID 26627398 DOI: 10.1021/Ct700019H  0.666
2007 GORI-GIORGI P, SAVIN A. KOHN-SHAM CALCULATIONS COMBINED WITH AN AVERAGE PAIR-DENSITY FUNCTIONAL THEORY International Journal of Modern Physics B. 21: 2449-2459. DOI: 10.1142/S0217979207043804  0.68
2007 Seidl M, Gori-Giorgi P, Savin A. Strictly correlated electrons in density-functional theory: A general formulation with applications to spherical densities Physical Review A. 75. DOI: 10.1103/Physreva.75.042511  0.675
2006 Paziani S, Moroni S, Gori-Giorgi P, Bachelet GB. Local-spin-density functional for multideterminant density functional theory Physical Review B. 73. DOI: 10.1103/Physrevb.73.155111  0.566
2006 Gori-Giorgi P, Savin A. Properties of short-range and long-range correlation energy density functionals from electron-electron coalescence Physical Review A. 73. DOI: 10.1103/Physreva.73.032506  0.686
2006 Gori-Giorgi P, Savin A. System-adapted correlation energy density functionals from effective pair interactions Philosophical Magazine. 86: 2643-2659. DOI: 10.1080/14786430500199120  0.621
2006 Goll E, Werner HJ, Stoll H, Leininger T, Gori-Giorgi P, Savin A. A short-range gradient-corrected spin density functional in combination with long-range coupled-cluster methods: Application to alkali-metal rare-gas dimers Chemical Physics. 329: 276-282. DOI: 10.1016/J.Chemphys.2006.05.020  0.608
2006 Toulouse J, Gori-Giorgi P, Savin A. Scaling relations, virial theorem, and energy densities for long-range and short-range density functionals International Journal of Quantum Chemistry. 106: 2026-2034. DOI: 10.1002/Qua.20813  0.699
2005 Gori-Giorgi P, Savin A. Simple model for the spherically and system-averaged pair density: Results for two-electron atoms Physical Review A. 71. DOI: 10.1103/Physreva.71.032513  0.674
2005 Toulouse J, Gori-Giorgi P, Savin A. A short-range correlation energy density functional with multi-determinantal reference Theoretical Chemistry Accounts. 114: 305-308. DOI: 10.1007/S00214-005-0688-2  0.686
2004 Zecca L, Gori-Giorgi P, Moroni S, Bachelet GB. Local density functional for the short-range part of the electron-electron interaction Physical Review B - Condensed Matter and Materials Physics. 70: 205127-1-205127-6. DOI: 10.1103/Physrevb.70.205127  0.533
2004 Gori-Giorgi P, Moroni S, Bachelet GB. Pair-distribution functions of the two-dimensional electron gas Physical Review B. 70. DOI: 10.1103/Physrevb.70.115102  0.455
2004 Corona M, Gori-Giorgi P, Perdew JP. Simple physical picture of the Overhauser screened electron-electron interaction Physical Review B. 69. DOI: 10.1103/Physrevb.69.045108  0.581
2004 Gori-Giorgi P, Perdew JP. Spin resolution of the electron-gas correlation energy: Positive same spin contributions Physical Review B. 69. DOI: 10.1103/Physrevb.69.041103  0.626
2003 Attaccalite C, Moroni S, Gori-Giorgi P, Bachelet GB. Erratum: Correlation Energy and Spin Polarization in the 2D Electron Gas [Phys. Rev. Lett.88, 256601 (2002)] Physical Review Letters. 91. DOI: 10.1103/Physrevlett.91.109902  0.367
2002 Attaccalite C, Moroni S, Gori-Giorgi P, Bachelet GB. Correlation energy and spin polarization in the 2D electron gas. Physical Review Letters. 88: 256601. PMID 12097109 DOI: 10.1103/Physrevlett.88.256601  0.484
2002 Gori-Giorgi P, Ziesche P. Momentum distribution of the uniform electron gas: Improved parametrization and exact limits of the cumulant expansion Physical Review B. 66. DOI: 10.1103/Physrevb.66.235116  0.374
2002 Gori-Giorgi P, Perdew JP. Pair distribution function of the spin-polarized electron gas: A first-principles analytic model for all uniform densities Physical Review B. 66. DOI: 10.1103/Physrevb.66.165118  0.565
2002 Gori-Giorgi P, Sacchetti F, Bachelet GB. Erratum: Analytic static structure factors and pair-correlation functions for the unpolarized homogeneous electron gas [Phys. Rev. B61, 7353 (2000)] Physical Review B. 66. DOI: 10.1103/Physrevb.66.159901  0.383
2002 Gori-Giorgi P, Attaccalite C, Moroni S, Bachelet GB. Two-dimensional electron gas: Correlation energy versus density and spin polarization International Journal of Quantum Chemistry. 91: 126-130. DOI: 10.1002/qua.10416  0.315
2001 Gori-Giorgi P, Perdew JP. Short-range correlation in the uniform electron gas: Extended Overhauser model Physical Review B. 64. DOI: 10.1103/Physrevb.64.155102  0.513
2001 Tao J, Gori-Giorgi P, Perdew JP, McWeeny R. Uniform electron gas from the Colle-Salvetti functional: Missing long-range correlations Physical Review a - Atomic, Molecular, and Optical Physics. 63: 1-5. DOI: 10.1103/Physreva.63.032513  0.666
2000 Gori-Giorgi P, Sacchetti F, Bachelet GB. Analytic static structure factors and pair-correlation functions for the unpolarized homogeneous electron gas Physical Review B. 61: 7353-7363. DOI: 10.1103/Physrevb.61.7353  0.508
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