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1

Functional derivative of the zero-point-energy functional from the strong-interaction limit of density-functional theory

Grossi, Juri, Seidl, Michael, Gori-Giorgi, Paola, Giesbertz, Klaas J. H.

Journal:

Physical Review A

Year:

2019

Language:

english

File:

PDF, 4.76 MB

english, 2019

2

Strictly correlated electrons in density-functional theory: A general formulation with applications to spherical densities

Seidl, Michael, Gori-Giorgi, Paola, Savin, Andreas

Journal:

Physical Review A

Year:

2007

Language:

english

File:

PDF, 502 KB

english, 2007

3

Hydrogen Molecule Dissociation Curve with Functionals Based on the Strictly Correlated Regime

Vuckovic, Stefan, Wagner, Lucas O., Mirtschink, André, Gori-Giorgi, Paola

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 1.08 MB

english, 2015

4

Asymptotic behaviour of the electron density and the Kohn–Sham potential in case of a Kohn–Sham HOMO nodal plane

Gori-Giorgi, Paola, Gál, Tamás, Baerends, Evert Jan

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 886 KB

english, 2016

5

Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT

Vuckovic, Stefan, Irons, Tom J. P., Wagner, Lucas O., Teale, Andrew M., Gori-Giorgi, Paola

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 11.23 MB

english, 2017

6

Augmented potential, energy densities, and virial relations in the weak- and strong-interaction limits of DFT

Vuckovic, Stefan, Levy, Mel, Gori-Giorgi, Paola

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 831 KB

english, 2017

7

Strong correlation in density functional theory: general discussion

Fromager, Emmanuel, Gidopoulos, Nikitas, Gori-Giorgi, Paola, Helgaker, Trygve, Loos, Pierre-FranÃ§ois, Malcomson, Thomas, Pernal, Katarzyna, Savin, Andreas, Truhlar, Donald G., Wibowo, Meilani, Yang,

Journal:

Faraday Discussions

Year:

2020

File:

PDF, 416 KB

2020

8

A short-range gradient-corrected spin density functional in combination with long-range coupled-cluster methods: Application to alkali-metal rare-gas dimers

Erich Goll, Hans-Joachim Werner, Hermann Stoll, Thierry Leininger, Paola Gori-Giorgi, Andreas Savin

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 190 KB

english, 2006

9

Correlation energy, pair-distribution functions and static structure factors of jellium

Paola Gori-Giorgi, Francesco Sacchetti, Giovanni B. Bachelet

Journal:

Physica A: Statistical Mechanics and its Applications

Year:

2000

Language:

english

File:

PDF, 96 KB

english, 2000

10

Two-dimensional electron gas: Correlation energy versus density and spin polarization

Paola Gori-Giorgi, Claudio Attaccalite, Saverio Moroni, Giovanni B. Bachelet

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 99 KB

english, 2003

11

Scaling relations, virial theorem, and energy densities for long-range and short-range density functionals

Julien Toulouse, Paola Gori-Giorgi, Andreas Savin

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 137 KB

english, 2006

12

Study of the discontinuity of the exchange-correlation potential in an exactly soluble case

Paola Gori-Giorgi, Andreas Savin

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 140 KB

english, 2009

13

Range separation combined with the Overhauser model: Application to the H2 molecule along the dissociation curve

Paola Gori-Giorgi, Andreas Savin

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 319 KB

english, 2009

14

Optimal-transport formulation of electronic density-functional theory

Buttazzo, Giuseppe, De Pascale, Luigi, Gori-Giorgi, Paola

Journal:

Physical Review A

Year:

2012

Language:

english

File:

PDF, 313 KB

english, 2012

15

Strong Correlation in Kohn-Sham Density Functional Theory

Malet, Francesc, Gori-Giorgi, Paola

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 376 KB

english, 2012

16

Charge density reconstitution from approximate exchange-correlation holes

Gori-Giorgi, Paola, Ángyán, János G., Savin, Andreas

Journal:

Canadian Journal of Chemistry

Year:

2009

Language:

english

File:

PDF, 140 KB

english, 2009

17

Kohn-Sham density functional theory for quantum wires in arbitrary correlation regimes

Malet, Francesc, Mirtschink, André, Cremon, Jonas C., Reimann, Stephanie M., Gori-Giorgi, Paola

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 934 KB

english, 2013

18

Adiabatic connection at negative coupling strengths

Seidl, Michael, Gori-Giorgi, Paola

Journal:

Physical Review A

Year:

2010

Language:

english

File:

PDF, 330 KB

english, 2010

19

Derivative Discontinuity in the Strong-Interaction Limit of Density-Functional Theory

Mirtschink, André, Seidl, Michael, Gori-Giorgi, Paola

Journal:

Physical Review Letters

Year:

2013

Language:

english

File:

PDF, 627 KB

english, 2013

20

Correlation Energy and Spin Polarization in the 2D Electron Gas

Attaccalite, Claudio, Moroni, Saverio, Gori-Giorgi, Paola, Bachelet, Giovanni B.

Journal:

Physical Review Letters

Year:

2002

Language:

english

File:

PDF, 104 KB

english, 2002

21

Density-Functional Theory for Strongly Interacting Electrons

Gori-Giorgi, Paola, Seidl, Michael, Vignale, G.

Journal:

Physical Review Letters

Year:

2009

Language:

english

File:

PDF, 97 KB

english, 2009

22

Exchange–correlation functionals from the strong interaction limit of DFT: applications to model chemical systems

Malet, Francesc, Mirtschink, André, Giesbertz, Klaas J. H., Wagner, Lucas O., Gori-Giorgi, Paola

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.76 MB

english, 2014

23

Electronic Zero-Point Oscillations in the Strong-Interaction Limit of Density Functional Theory

Gori-Giorgi, Paola, Vignale, Giovanni, Seidl, Michael

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 152 KB

english, 2009

24

Energy Densities in the Strong-Interaction Limit of Density Functional Theory

Mirtschink, André, Seidl, Michael, Gori-Giorgi, Paola

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 670 KB

english, 2012

25

High-Density Limit of Two-Electron Systems: Results from the Extended Overhauser Approach †

Gori-Giorgi, Paola, Savin, Andreas

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 103 KB

english, 2007

26

Density functional theory for strongly-interacting electrons: perspectives for physics and chemistry

Gori-Giorgi, Paola, Seidl, Michael

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.17 MB

english, 2010

27

Intracule densities in the strong-interaction limit of density functional theory

Gori-Giorgi, Paola, Seidl, Michael, Savin, Andreas

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 686 KB

english, 2008

28

Erratum: Correlation Energy and Spin Polarization in the 2D Electron Gas [Phys. Rev. Lett. 88 , 256601 (2002)]

Attaccalite, Claudio, Moroni, Saverio, Gori-Giorgi, Paola, Bachelet, Giovanni B.

Journal:

Physical Review Letters

Year:

2003

Language:

english

File:

PDF, 29 KB

english, 2003

29

Wigner localization in quantum dots from Kohn-Sham density functional theory without symmetry breaking

Mendl, Christian B., Malet, Francesc, Gori-Giorgi, Paola

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 862 KB

english, 2014

30

Pair distribution function of the spin-polarized electron gas: A first-principles analytic model for all uniform densities

Gori-Giorgi, Paola, Perdew, John P.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 194 KB

english, 2002

31

Short-range correlation in the uniform electron gas: Extended Overhauser model

Gori-Giorgi, Paola, Perdew, John P.

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 119 KB

english, 2001

32

Pair-distribution functions of the two-dimensional electron gas

Gori-Giorgi, Paola, Moroni, Saverio, Bachelet, Giovanni B.

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 183 KB

english, 2004

33

Energy density functionals from the strong-coupling limit applied to the anions of the He isoelectronic series

Mirtschink, André, Umrigar, C. J., Morgan, John D., Gori-Giorgi, Paola

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.22 MB

english, 2014

34

Analytic static structure factors and pair-correlation functions for the unpolarized homogeneous electron gas

Gori-Giorgi, Paola, Sacchetti, Francesco, Bachelet, Giovanni B.

Journal:

Physical Review B

Year:

2000

Language:

english

File:

PDF, 158 KB

english, 2000

35

Momentum distribution of the uniform electron gas: Improved parametrization and exact limits of the cumulant expansion

Gori-Giorgi, Paola, Ziesche, Paul

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 211 KB

english, 2002

36

Electron avoidance: A nonlocal radius for strong correlation

Wagner, Lucas O., Gori-Giorgi, Paola

Journal:

Physical Review A

Year:

2014

Language:

english

File:

PDF, 697 KB

english, 2014

37

Simple physical picture of the Overhauser screened electron-electron interaction

Corona, Maria, Gori-Giorgi, Paola, Perdew, John P.

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 72 KB

english, 2004

38

Local-spin-density functional for multideterminant density functional theory

Paziani, Simone, Moroni, Saverio, Gori-Giorgi, Paola, Bachelet, Giovanni B.

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 131 KB

english, 2006

39

Simple model for the spherically and system-averaged pair density: Results for two-electron atoms

Gori-Giorgi, Paola, Savin, Andreas

Journal:

Physical Review A

Year:

2005

Language:

english

File:

PDF, 112 KB

english, 2005

40

Uniform electron gas from the Colle-Salvetti functional: Missing long-range correlations

Tao, Jianmin, Gori-Giorgi, Paola, Perdew, John P., McWeeny, Roy

Journal:

Physical Review A

Year:

2001

Language:

english

File:

PDF, 81 KB

english, 2001

41

Local density functional for the short-range part of the electron-electron interaction

Zecca, Lorenzo, Gori-Giorgi, Paola, Moroni, Saverio, Bachelet, Giovanni B.

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 86 KB

english, 2004

42

Spin resolution of the electron-gas correlation energy: Positive same spin contributions

Gori-Giorgi, Paola, Perdew, John P.

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 73 KB

english, 2004

43

Erratum: Analytic static structure factors and pair-correlation functions for the unpolarized homogeneous electron gas [Phys. Rev. B 61 , 7353 (2000)]

Gori-Giorgi, Paola, Sacchetti, Francesco, Bachelet, Giovanni B.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 20 KB

english, 2002

44

Properties of short-range and long-range correlation energy density functionals from electron-electron coalescence

Gori-Giorgi, Paola, Savin, Andreas

Journal:

Physical Review A

Year:

2006

Language:

english

File:

PDF, 150 KB

english, 2006

45

Density-Functional Theory for Strongly Correlated Bosonic and Fermionic Ultracold Dipolar and Ionic Gases

Malet, F., Mirtschink, A., Mendl, C. B., Bjerlin, J., Karabulut, E. Ö., Reimann, S. M., Gori-Giorgi, Paola

Journal:

Physical Review Letters

Year:

2015

Language:

english

File:

PDF, 465 KB

english, 2015

46

Challenging the Lieb–Oxford bound in a systematic way

Seidl, Michael, Vuckovic, Stefan, Gori-Giorgi, Paola

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 695 KB

english, 2016

47

Exchange–Correlation Functionals via Local Interpolation along the Adiabatic Connection

Vuckovic, Stefan, Irons, Tom J. P., Savin, Andreas, Teale, Andrew M., Gori-Giorgi, Paola

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 1.18 MB

english, 2016

48

Foreword for special issue of Molecular Physics in honour of Andreas Savin

Gori-Giorgi, Paola, Helgaker, Trygve, Scuseria, Gustavo, Silvi, Bernard, Toulouse, Julien

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 434 KB

english, 2016

49

The adiabatic strictly-correlated-electrons functional: kernel and exact properties

Lani, Giovanna, Di Marino, Simone, Gerolin, Augusto, van Leeuwen, Robert, Gori-Giorgi, Paola

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.76 MB

english, 2016

50

Anomalous scaling and breakdown of conventional density functional theory methods for the description of Mott phenomena and stretched bonds

Ying, Zu-Jian, Brosco, Valentina, Lopez, Giorgia Maria, Varsano, Daniele, Gori-Giorgi, Paola, Lorenzana, José

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 725 KB

english, 2016

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