Publications by authors named "Per Hyldgaard"

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Optimally tuned range-separated hybrid van der Waals density functional for molecular binding and quasiparticle characterizations.
Elsebeth Schröder, Raul Quintero-Monsebaiz, Yang Jiao, Per Hyldgaard

J Phys Condens Matter· May 2025

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A Density Functional Theory for the Average Electron Energy.
Stefano Racioppi, Phalgun Lolur, Per Hyldgaard, Martin Rahm

J Chem Theory Comput· February 2023

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An assessment of density functionals for predicting CO adsorption in diamine-functionalized metal-organic frameworks.
Jung-Hoon Lee, Per Hyldgaard, Jeffrey B Neaton

J Chem Phys· April 2022

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vdW-DF-ahcx: a range-separated van der Waals density functional hybrid.
Vivekanand Shukla, Yang Jiao, Carl M Frostenson, Per Hyldgaard

J Phys Condens Matter· November 2021

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Screening nature of the van der Waals density functional method: a review and analysis of the many-body physics foundation.
Per Hyldgaard, Yang Jiao, Vivekanand Shukla

J Phys Condens Matter· June 2020

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Extent of Fock-exchange mixing for a hybrid van der Waals density functional?
Yang Jiao, Elsebeth Schröder, Per Hyldgaard

J Chem Phys· May 2018

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Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules.
Kristian Berland, Yang Jiao, Jung-Hoon Lee, Tonatiuh Rangel, Jeffrey B Neaton, Per Hyldgaard

J Chem Phys· June 2017

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Optimization of Norbornadiene Compounds for Solar Thermal Storage by First-Principles Calculations.
Mikael Kuisma, Angelica Lundin, Kasper Moth-Poulsen, Per Hyldgaard, Paul Erhart

ChemSusChem· July 2016

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Comparative Ab-Initio Study of Substituted Norbornadiene-Quadricyclane Compounds for Solar Thermal Storage.
Mikael J Kuisma, Angelica M Lundin, Kasper Moth-Poulsen, Per Hyldgaard, Paul Erhart

J Phys Chem C Nanomater Interfaces· February 2016

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van der Waals forces in density functional theory: a review of the vdW-DF method.
Kristian Berland, Valentino R Cooper, Kyuho Lee, Elsebeth Schröder, T Thonhauser, Per Hyldgaard

Rep Prog Phys· June 2015

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van der Waals density functionals built upon the electron-gas tradition: facing the challenge of competing interactions.
Kristian Berland, Calvin A Arter, Valentino R Cooper, Kyuho Lee, Bengt I Lundqvist, Per Hyldgaard

J Chem Phys· May 2014

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Van der Waals interactions in advanced materials, in memory of David C Langreth.
Per Hyldgaard, Talat S Rahman

J Phys Condens Matter· October 2012

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Physisorption of nucleobases on graphene: a comparative van der Waals study.
Duy Le, Abdelkader Kara, Elsebeth Schröder, Per Hyldgaard, Talat S Rahman

J Phys Condens Matter· October 2012

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Benchmarking van der Waals density functionals with experimental data: potential-energy curves for H2 molecules on Cu(111), (100) and (110) surfaces.
Kyuho Lee, Kristian Berland, Mina Yoon, Stig Andersson, Elsebeth Schröder, Per Hyldgaard

J Phys Condens Matter· October 2012

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Do two-dimensional "noble gas atoms" produce molecular honeycombs at a metal surface?
Jonathan Wyrick, Dae-Ho Kim, Dezheng Sun, Zhihai Cheng, Wenhao Lu, Per Hyldgaard

Nano Lett· July 2011

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Understanding adhesion at as-deposited interfaces from ab initio thermodynamics of deposition growth: thin-film alumina on titanium carbide.
Jochen Rohrer, Per Hyldgaard

J Phys Condens Matter· December 2010

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Structure and binding in crystals of cagelike molecules: hexamine and platonic hydrocarbons.
Kristian Berland, Per Hyldgaard

J Chem Phys· April 2010

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Site determination and thermally assisted tunneling in homogenous nucleation.
Jascha Repp, Gerhard Meyer, Karl-Heinz Rieder, Per Hyldgaard

Phys Rev Lett· November 2003

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