List of works - Per Hyldgaard

A density functional for sparse matter.

scientific article published on 30 January 2009

Ab initio structure modelling of complex thin-film oxides: thermodynamical stability of TiC/thin-film alumina

scientific article published on 03 December 2009

Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules.

scientific article

Benchmarking van der Waals density functionals with experimental data: potential-energy curves for H2 molecules on Cu(111), (100) and (110) surfaces

scientific article

Comparative Ab-Initio Study of Substituted Norbornadiene-Quadricyclane Compounds for Solar Thermal Storage.

scientific article published on 26 January 2016

Do two-dimensional "noble gas atoms" produce molecular honeycombs at a metal surface?

scientific article published on 20 June 2011

Nonequilibrium thermodynamics of interacting tunneling transport: variational grand potential, density functional formulation and nature of steady-state forces ⬇️

scientific article published on October 3, 2012

Optimization of Norbornadiene Compounds for Solar Thermal Storage by First-Principles Calculations.

scientific article

Physisorption of nucleobases on graphene: a comparative van der Waals study

scientific article published on 03 October 2012

Quantum confinement in monatomic Cu chains on Cu(111).

scientific article published on 5 February 2004

Screening nature of the van der Waals density functional method: a review and analysis of the many-body physics foundation

scientific article published on 23 March 2020

Self-organized one-dimensional electron systems on a low-symmetry oxide surface

scientific article published on 13 June 2003

Site determination and thermally assisted tunneling in homogenous nucleation

scientific article published on 12 November 2003

Spin Signature of Nonlocal Correlation Binding in Metal-Organic Frameworks ⬇️

scientific article published on 22 September 2015

Structure and binding in crystals of cagelike molecules: hexamine and platonic hydrocarbons.

scientific article published in April 2010

Substrate mediated long-range oscillatory interaction between adatoms: Cu /Cu(111)

scientific article published on 01 October 2000

Understanding adhesion at as-deposited interfaces from ab initio thermodynamics of deposition growth: thin-film alumina on titanium carbide

scientific article published on 5 November 2010

Unraveling the Ground-State Structure of BaZrO<sub>3</sub> by Neutron Scattering Experiments and First-Principles Calculations

scientific article published in 2020

Van der Waals Density Functional for Layered Structures

scientific article published on 18 September 2003

Van der Waals interactions in advanced materials, in memory of David C Langreth

scientific article published on 3 October 2012

van der Waals density functionals built upon the electron-gas tradition: facing the challenge of competing interactions. ⬇️

scientific article published in May 2014

van der Waals forces in density functional theory: a review of the vdW-DF method ⬇️

scientific article published on 15 May 2015

List of works by Per Hyldgaard

A density functional for sparse matter.

Ab initio structure modelling of complex thin-film oxides: thermodynamical stability of TiC/thin-film alumina

Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules.

Benchmarking van der Waals density functionals with experimental data: potential-energy curves for H2 molecules on Cu(111), (100) and (110) surfaces

Comparative Ab-Initio Study of Substituted Norbornadiene-Quadricyclane Compounds for Solar Thermal Storage.

Do two-dimensional "noble gas atoms" produce molecular honeycombs at a metal surface?

Nonequilibrium thermodynamics of interacting tunneling transport: variational grand potential, density functional formulation and nature of steady-state forces ⬇️

Optimization of Norbornadiene Compounds for Solar Thermal Storage by First-Principles Calculations.

Physisorption of nucleobases on graphene: a comparative van der Waals study

Quantum confinement in monatomic Cu chains on Cu(111).

Screening nature of the van der Waals density functional method: a review and analysis of the many-body physics foundation

Self-organized one-dimensional electron systems on a low-symmetry oxide surface

Site determination and thermally assisted tunneling in homogenous nucleation

Spin Signature of Nonlocal Correlation Binding in Metal-Organic Frameworks ⬇️

Structure and binding in crystals of cagelike molecules: hexamine and platonic hydrocarbons.

Substrate mediated long-range oscillatory interaction between adatoms: Cu /Cu(111)

Understanding adhesion at as-deposited interfaces from ab initio thermodynamics of deposition growth: thin-film alumina on titanium carbide

Unraveling the Ground-State Structure of BaZrO<sub>3</sub> by Neutron Scattering Experiments and First-Principles Calculations

Van der Waals Density Functional for Layered Structures

Van der Waals interactions in advanced materials, in memory of David C Langreth

van der Waals density functionals built upon the electron-gas tradition: facing the challenge of competing interactions. ⬇️

van der Waals forces in density functional theory: a review of the vdW-DF method ⬇️