Lucian Constantin

Selected Publications

1) Nonuniform Scaling Applied to Surface Energies of Transition Metals
Letizia Chiodo, Lucian A. Constantin, Eduardo Fabiano, and Fabio Della Sala
Phys. Rev. Lett. 108, 126402 (2012)

2) Improving atomization energies of molecules and solids with a spin-dependent gradient correction from one-electron density analysis
Lucian A. Constantin, E. Fabiano, and F. Della Sala
Phys. Rev. B 84, 233103 (2011)

3) Correlation energy functional from jellium surface analysis
Lucian A. Constantin, Letizia Chiodo, Eduardo Fabiano, Igor Bodrenko, and Fabio Della Sala
Phys. Rev. B 84, 045126 (2011)

4) Semiclassical Neutral Atom as a Reference System in Density Functional Theory
Lucian A. Constantin, E. Fabiano, S. Laricchia, and F. Della Sala
Phys. Rev. Lett. 106, 186406 (2011)

5) Adiabatic-connection-fluctuation-dissipation approach to long-range behavior of exchange-correlation energy at metal surfaces: A numerical study for jellium slabs
Lucian A. Constantin and J. M. Pitarke
Phys. Rev. B 83, 075116 (2011)

6) Generalized gradient approximation bridging the rapidly and slowly varying density regimes: A PBE-like functional for hybrid interfaces
Eduardo Fabiano, Lucian A. Constantin, and Fabio Della Sala
Phys. Rev. B 82, 113104 (2010)

7) Exchange-correlation energy functional based on the Airy-gas reference system
Lucian A. Constantin, Adrienn Ruzsinszky, and John P. Perdew
Phys. Rev. B 80, 035125 (2009)

8) Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry
John P. Perdew, Adrienn Ruzsinszky, Gábor I. Csonka, Lucian A. Constantin, and Jianwei Sun
Phys. Rev. Lett. 103, 026403 (2009)

9) Kinetic energy density functionals from the Airy gas with an application to the atomization kinetic energies of molecules
Lucian A. Constantin and Adrienn Ruzsinszky
Phys. Rev. B 79, 115117 (2009)

10) Exchange-correlation hole of a generalized gradient approximation for solids and surfaces
Lucian A. Constantin, John P. Perdew, and J. M. Pitarke
Phys. Rev. B 79, 075126 (2009)

11) Perdew et al. Reply:
John P. Perdew, Adrienn Ruzsinszky, Gábor I. Csonka, Oleg A. Vydrov, Gustavo E. Scuseria, Lucian A. Constantin, Xiaolan Zhou, and Kieron Burke
Phys. Rev. Lett. 101, 239702 (2008)

12) Dimensional crossover of the exchange-correlation energy at the semilocal level
Lucian A. Constantin
Phys. Rev. B 78, 155106 (2008)

13) Collapse of the Electron Gas to Two Dimensions in Density Functional Theory
Lucian A. Constantin, John P. Perdew, and J. M. Pitarke
Phys. Rev. Lett. 101, 016406 (2008)

14) Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
John P. Perdew, Adrienn Ruzsinszky, Gábor I. Csonka, Oleg A. Vydrov, Gustavo E. Scuseria, Lucian A. Constantin, Xiaolan Zhou, and Kieron Burke
Phys. Rev. Lett. 100, 136406 (2008)

15) High-Level Correlated Approach to the Jellium Surface Energy, without Uniform-Gas Input
Lucian A. Constantin, J. M. Pitarke, J. F. Dobson, A. Garcia-Lekue, and John P. Perdew
Phys. Rev. Lett. 100, 036401 (2008)

16) Simple dynamic exchange-correlation kernel of a uniform electron gas
Lucian A. Constantin and J. M. Pitarke
Phys. Rev. B 75, 245127 (2007)

17) Laplacian-level density functionals for the kinetic energy density and exchange-correlation energy
John P. Perdew and Lucian A. Constantin
Phys. Rev. B 75, 155109 (2007)

18) Relevance of the Slowly Varying Electron Gas to Atoms, Molecules, and Solids
John P. Perdew, Lucian A. Constantin, Espen Sagvolden, and Kieron Burke
Phys. Rev. Lett. 97, 223002 (2006)

19) Wave-vector analysis of the jellium exchange-correlation surface energy in the random-phase approximation: Support for nonempirical density functionals
J. M. Pitarke, Lucian A. Constantin, and John P. Perdew
Phys. Rev. B 74, 045121 (2006)

20) Meta-generalized gradient approximation for the exchange-correlation hole with an application to the jellium surface energy
Lucian A. Constantin, John P. Perdew, and Jianmin Tao
Phys. Rev. B 73, 205104 (2006)

21) Exchange-correlation generalized gradient approximation for gold nanostructures
E. Fabiano, Lucian A. Constantin, and F. Della Sala
J. Chem. Phys. 134, 194112 (2011)

22) Communication: Ionization potentials in the limit of large atomic number
Lucian A. Constantin, John C. Snyder, John P. Perdew, and Kieron Burke
J. Chem. Phys. 133, 241103 (2010)

23) Condition on the Kohn–Sham kinetic energy and modern parametrization of the Thomas–Fermi density
Donghyung Lee, Lucian A. Constantin, John P. Perdew, and Kieron Burke
J. Chem. Phys. 130, 034107 (2009)

24) The Many-Body Exchange-Correlation Hole at Metal Surfaces
Lucian A. Constantin and J. M. Pitarke
J. Chem. Theory Comput., 2009, 5 (4), pp 895–901

25) Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed
John P. Perdew, Adrienn Ruzsinszky, Lucian A. Constantin, Jianwei Sun and Gabor I. Csonka
J. Chem. Theory Comput., 2009, 5 (4), pp 902–908

26) Generalized Gradient Approximations of the Noninteracting Kinetic Energy from the Semiclassical Atom Theory: Rationalization of the Accuracy of the Frozen Density
Embedding
Theory for Nonbonded Interactions
S. Laricchia, E. Fabiano, L. A. Constantin, and F. Della Sala
J. Chem. Theory Comput., 2011, 7 (8), pp 2439–2451

27) Two-Dimensional Scan of the Performance of Generalized Gradient Approximations with Perdew–Burke–Ernzerhof-Like Enhancement Factor
E. Fabiano, Lucian A. Constantin, and F. Della Sala
J. Chem. Theory Comput., 2011, 7 (11), pp 3548–3559

28) Testing the broad applicability of the PBEint GGA functional and its one-parameter hybrid form
E. Fabiano1, Lucian A. Constantin, F. Della Sala
DOI: 10.1002/qua.24042

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Virgilio Brunetti

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Arcangelo Barbieri

Francesco Rizzi

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Former Colleagues

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Kim Jang Yong