List of works - Lucian A. Constantin

A modified interaction-strength interpolation method as an important step towards self-consistent calculations

scientific article published on 19 June 2020

Accurate Water Properties from an Efficient ab Initio Method

scientific article published on 22 January 2020

Collapse of the electron gas to two dimensions in density functional theory

scientific article published on 03 July 2008

Communication: Ionization potentials in the limit of large atomic number.

scientific article

Comparison of dispersion-corrected exchange-correlation functionals using atomic orbitals

scientific article

Condition on the Kohn-Sham kinetic energy and modern parametrization of the Thomas-Fermi density

scientific article

Correct Structural Phase Stability of FeS2, TiO2, and MnO2 from a Semilocal Density Functional

scientific article

Correct and Accurate Polymorphic Energy Ordering of Transition-Metal Monoxides Obtained from Semilocal and Onsite-Hybrid Exchange-Correlation Approximations

scientific article published in 2022

Efficient and improved prediction of the band offsets at semiconductorheterojunctions from meta-GGA density functionals: a benchmark study

scientific article published in 2022

Efficient yet accurate dispersion-corrected semilocal exchange-correlation functionals for non-covalent interactions

scientific article published on 01 August 2020

Erratum: Collapse of the Electron Gas to Two Dimensions in Density Functional Theory [Phys. Rev. Lett.101, 016406 (2008)]

scientific article published on 29 December 2008

Erratum: Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces [Phys. Rev. Lett.100, 136406 (2008)]

scientific article published on 22 January 2009

Erratum: Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry [Phys. Rev. Lett.103, 026403 (2009)]

scientific article published on 29 April 2011

Exchange-correlation energy functional based on the Airy-gas reference system

scientific article published on 23 July 2009

Exchange-correlation generalized gradient approximation for gold nanostructures

scientific article published in May 2011

Exchange-correlation hole of a generalized gradient approximation for solids and surfaces

scientific article published on 27 February 2009

First principles optical spectra of the β-SiC(0 0 1)/Al interface

scientific article published on 09 June 2014

Generalized Gradient Approximation Correlation Energy Functionals Based on the Uniform Electron Gas with Gap Model ⬇️

scientific article published on 01 May 2014

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

scientific article published on 20 July 2011

Generalizing Double-Hybrid Density Functionals: Impact of Higher-Order Perturbation Terms

scientific article published on 18 November 2020

Global hybrids from the semiclassical atom theory satisfying the local density linear response ⬇️

scientific article published on 24 December 2014

Hartree potential dependent exchange functional ⬇️

scientific article published on 01 August 2016

High-level correlated approach to the jellium surface energy, without uniform-gas input

scientific article published on 24 January 2008

Improved solid stability from a screened range-separated hybrid functional by satisfying semiclassical atom theory and local density linear response

scientific article

Improved transition metal surface energies from a generalized gradient approximation developed for quasi two-dimensional systems

scientific article published on 01 April 2020

Improving the applicability of the Pauli kinetic energy density based semilocal functional for solids

scientific article published in June 2021

Insights from the density functional performance of water and water-solid interactions: SCAN in relation to other meta-GGAs

scientific article published on 01 December 2020

Kernel-corrected random-phase approximation for the uniform electron gas and jellium surface energy

scholarly article in Physical Review B, vol. 94 no. 16, October 2016

Laplacian-Level Kinetic Energy Approximations Based on the Fourth-Order Gradient Expansion: Global Assessment and Application to the Subsystem Formulation of Density Functional Theory ⬇️

scientific article published on 01 January 2014

Laplacian-dependent models of the kinetic energy density: Applications in subsystem density functional theory with meta-generalized gradient approximation functionals. ⬇️

scientific article published in February 2017

Laplacian-level density functionals for the kinetic energy density and exchange-correlation energy

scientific article published on 19 April 2007

Meta-GGA Exchange-Correlation Functional with a Balanced Treatment of Nonlocality.

scientific article published on 19 April 2013

Meta-generalized gradient approximation for the exchange-correlation hole with an application to the jellium surface energy

scientific article published on 3 May 2006

Modified Fourth-Order Kinetic Energy Gradient Expansion with Hartree Potential-Dependent Coefficients.

scientific article published on 21 August 2017

Nonlocal kinetic energy functionals in real space using a Yukawa-potential kernel: Properties, linear response, and model functionals

scientific article

Nonuniform scaling applied to surface energies of transition metals

scientific article published on 21 March 2012

Perdew et al. Reply:

scientific article published on 5 December 2008

Performance of Semilocal Kinetic Energy Functionals for Orbital-Free Density Functional Theory

scientific article published on 19 April 2019

Position-dependent exact-exchange energy for slabs and semi-infinite jellium

scientific article

Relevance of the Pauli kinetic energy density for semilocal functionals

scientific article

Relevance of the slowly varying electron gas to atoms, molecules, and solids

scientific article published on 30 November 2006

Restoring the density-gradient expansion for exchange in solids and surfaces

scientific article published on 4 April 2008

Screened range-separated hybrid by balancing the compact and slowly varying density regimes: Satisfaction of local density linear response

scientific article published on 01 January 2020

Semiclassical neutral atom as a reference system in density functional theory.

scientific article published on 6 May 2011

Semilocal Pauli-Gaussian Kinetic Functionals for Orbital-Free Density Functional Theory Calculations of Solids

scientific article published on 23 July 2018

Semilocal density functional theory with correct surface asymptotics ⬇️

scholarly article in Physical Review B, vol. 93 no. 11, March 2016

Solid-State Testing of a Van-Der-Waals-Corrected Exchange-Correlation Functional Based on the Semiclassical Atom Theory

scientific article

Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed

scientific article published on 2 March 2009

Spin-dependent gradient correction for more accurate atomization energies of molecules.

scientific article published in November 2012

Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionals ⬇️

scientific article published on 01 April 2015

The Many-Body Exchange-Correlation Hole at Metal Surfaces

scientific article published on 02 March 2009

Two-Dimensional Scan of the Performance of Generalized Gradient Approximations with Perdew-Burke-Ernzerhof-Like Enhancement Factor

scientific article published on 10 October 2011

Unveiling the Physics behind Hybrid Functionals

scientific article published on 17 June 2020

Wave Function and Density Functional Theory Studies of Dihydrogen Complexes ⬇️

scientific article published on 09 July 2014

Wave-vector analysis of the jellium exchange-correlation surface energy in the random-phase approximation: Support for nonempirical density functionals

scientific article published on 24 July 2006

Workhorse semilocal density functional for condensed matter physics and quantum chemistry

scientific article published on 10 July 2009

List of works by Lucian A. Constantin

A modified interaction-strength interpolation method as an important step towards self-consistent calculations

Accurate Water Properties from an Efficient ab Initio Method

Collapse of the electron gas to two dimensions in density functional theory

Communication: Ionization potentials in the limit of large atomic number.

Comparison of dispersion-corrected exchange-correlation functionals using atomic orbitals

Condition on the Kohn-Sham kinetic energy and modern parametrization of the Thomas-Fermi density

Correct Structural Phase Stability of FeS2, TiO2, and MnO2 from a Semilocal Density Functional

Correct and Accurate Polymorphic Energy Ordering of Transition-Metal Monoxides Obtained from Semilocal and Onsite-Hybrid Exchange-Correlation Approximations

Efficient and improved prediction of the band offsets at semiconductorheterojunctions from meta-GGA density functionals: a benchmark study

Efficient yet accurate dispersion-corrected semilocal exchange-correlation functionals for non-covalent interactions

Erratum: Collapse of the Electron Gas to Two Dimensions in Density Functional Theory [Phys. Rev. Lett.101, 016406 (2008)]

Erratum: Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces [Phys. Rev. Lett.100, 136406 (2008)]

Erratum: Workhorse Semilocal Density Functional for Condensed Matter Physics and Quantum Chemistry [Phys. Rev. Lett.103, 026403 (2009)]

Exchange-correlation energy functional based on the Airy-gas reference system

Exchange-correlation generalized gradient approximation for gold nanostructures

Exchange-correlation hole of a generalized gradient approximation for solids and surfaces

First principles optical spectra of the β-SiC(0 0 1)/Al interface

Generalized Gradient Approximation Correlation Energy Functionals Based on the Uniform Electron Gas with Gap Model ⬇️

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

Generalizing Double-Hybrid Density Functionals: Impact of Higher-Order Perturbation Terms

Global hybrids from the semiclassical atom theory satisfying the local density linear response ⬇️

Hartree potential dependent exchange functional ⬇️

High-level correlated approach to the jellium surface energy, without uniform-gas input

Improved solid stability from a screened range-separated hybrid functional by satisfying semiclassical atom theory and local density linear response

Improved transition metal surface energies from a generalized gradient approximation developed for quasi two-dimensional systems

Improving the applicability of the Pauli kinetic energy density based semilocal functional for solids

Insights from the density functional performance of water and water-solid interactions: SCAN in relation to other meta-GGAs

Kernel-corrected random-phase approximation for the uniform electron gas and jellium surface energy

Laplacian-Level Kinetic Energy Approximations Based on the Fourth-Order Gradient Expansion: Global Assessment and Application to the Subsystem Formulation of Density Functional Theory ⬇️

Laplacian-dependent models of the kinetic energy density: Applications in subsystem density functional theory with meta-generalized gradient approximation functionals. ⬇️

Laplacian-level density functionals for the kinetic energy density and exchange-correlation energy

Meta-GGA Exchange-Correlation Functional with a Balanced Treatment of Nonlocality.

Meta-generalized gradient approximation for the exchange-correlation hole with an application to the jellium surface energy

Modified Fourth-Order Kinetic Energy Gradient Expansion with Hartree Potential-Dependent Coefficients.

Nonlocal kinetic energy functionals in real space using a Yukawa-potential kernel: Properties, linear response, and model functionals

Nonuniform scaling applied to surface energies of transition metals

Perdew et al. Reply:

Performance of Semilocal Kinetic Energy Functionals for Orbital-Free Density Functional Theory

Position-dependent exact-exchange energy for slabs and semi-infinite jellium

Relevance of the Pauli kinetic energy density for semilocal functionals

Relevance of the slowly varying electron gas to atoms, molecules, and solids

Restoring the density-gradient expansion for exchange in solids and surfaces

Screened range-separated hybrid by balancing the compact and slowly varying density regimes: Satisfaction of local density linear response

Semiclassical neutral atom as a reference system in density functional theory.

Semilocal Pauli-Gaussian Kinetic Functionals for Orbital-Free Density Functional Theory Calculations of Solids

Semilocal density functional theory with correct surface asymptotics ⬇️

Solid-State Testing of a Van-Der-Waals-Corrected Exchange-Correlation Functional Based on the Semiclassical Atom Theory

Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed

Spin-dependent gradient correction for more accurate atomization energies of molecules.

Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionals ⬇️

The Many-Body Exchange-Correlation Hole at Metal Surfaces

Two-Dimensional Scan of the Performance of Generalized Gradient Approximations with Perdew-Burke-Ernzerhof-Like Enhancement Factor

Unveiling the Physics behind Hybrid Functionals

Wave Function and Density Functional Theory Studies of Dihydrogen Complexes ⬇️

Wave-vector analysis of the jellium exchange-correlation surface energy in the random-phase approximation: Support for nonempirical density functionals

Workhorse semilocal density functional for condensed matter physics and quantum chemistry