P. Hyldgaard

发表

Rings sliding on a honeycomb network: Adsorption contours, interactions, and assembly of benzene on Cu(111)

K. Berland, T. Einstein, P. Hyldgaard, 2009, 0907.4291.

Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond

P. Hyldgaard, D. Langreth, T. Thonhauser, 2007, cond-mat/0703442.

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

K. Berland, P. Hyldgaard, E. Schröder, 2014, Reports on progress in physics. Physical Society.

Van der Waals Density Functional Theory with Applications

Henrik Rydberg, Per Hyldgaard, Elsebeth Schröder, 2005 .

Van der Waals density functional for layered structures.

P. Hyldgaard, M. Dion, H. Rydberg, 2003, Physical review letters.

Phonon superlattice transport

Per Hyldgaard, Gerald D. Mahan, P. Hyldgaard, 1997 .

libvdwxc: a library for exchange–correlation functionals in the vdW-DF family

P. Hyldgaard, P. Erhart, M. Kuisma, 2017, 1703.06999.

Hard-materials-surface prediction of one-dimensional electron gas

P. Hyldgaard, B. Lundqvist, B. Razaznejad, 2003 .

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

P. Hyldgaard, J. Rohrer, C. Ruberto, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

TEM and DFT investigation of CVD TiN/κ–Al2O3 multilayer coatings

A. Vojvodić, P. Hyldgaard, Sakari Ruppi, 2007 .

Adsorption of methylamine on α-Al2O3(0001) and α-Cr2O3(0001) : Density functional theory

P. Hyldgaard, E. Schröder, Ø. Borck, 2007 .

Design and Fabrication of AlN/GaN Heterostructures for Intersubband Technology

K. Berland, P. Hyldgaard, A. Larsson, 2011 .

Nature and strength of bonding in a crystal of semiconducting nanotubes: van der Waals density functional calculations and analytical results

Per Hyldgaard, P. Hyldgaard, J. Kleis, 2008, 0803.3623.

Density-functional calculation of van der Waals forces for free-electron-like surfaces

P. Hyldgaard, B. Lundqvist, J. Rossmeisl, 2001 .

The van der Waals Interactions of Concentric Nanotubes

P. Hyldgaard, E. Schroder, 2003, cond-mat/0307017.

Van der Waals interactions of parallel and concentric nanotubes

P. Hyldgaard, E. Schröder, 2003 .

Temperature stability of intersubband transitions in AlN/GaN quantum wells

K. Berland, P. Hyldgaard, A. Larsson, 2010, 1010.1215.

Long-ranged adsorbate-adsorbate interactions mediated by a surface-state band

P. Hyldgaard, M. Persson, 2000 .

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

P. Hyldgaard, J. Rohrer, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

Van der Waals density functional for layered structures.

P. Hyldgaard, M. Dion, H. Rydberg, 2003, Physical review letters.

Thermal transport in SiC nanostructures

P. Hyldgaard, Eleni Ziambaras, 2004, cond-mat/0407122.

Accurate Nonempirical Range-Separated Hybrid van der Waals Density Functional for Complex Molecular Problems, Solids, and Surfaces

P. Hyldgaard, E. Schröder, J. Neaton, 2022, Physical Review X.

First-Principles Study of O Adsorption at SiC Surface

P. Godignon, P. Hyldgaard, P. Ordejón, 2004 .

Stacking and band structure of van der Waals bonded graphane multilayers

P. Hyldgaard, J. Rohrer, 2010, 1010.2925.

Polarization-balanced design of heterostructures: Application to AlN/GaN double-barrier structures

K. Berland, P. Hyldgaard, T. Andersson, 2011, 1102.4977.

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

P. Hyldgaard, R. Koch, K. Ploog, 2004, Physical review letters.

Resonant thermal transport in semiconductor barrier structures

P. Hyldgaard, 2004, cond-mat/0401315.

Stability of and conduction in single-walled Si2BN nanotubes

P. Hyldgaard, Vivekanand Shukla, Deobrat Singh, 2022, Physical Review Materials.

Quantum wire behavior in a one-component metallic system: monatomic Cu chains on Cu(111)

P. Hyldgaard, R. Koch, K. Ploog, 2004 .

Phonon Knudsen flow in nanostructured semiconductor systems

P. Hyldgaard, Eleni Ziambaras, 2005, cond-mat/0503701.

Effective elastic properties of a van der Waals molecular monolayer at a metal surface

K. Berland, T. Einstein, P. Hyldgaard, 2010 .

Response of the Shockley surface state to an external electrical field: A density-functional theory study of Cu(111)

K. Berland, T. Einstein, P. Hyldgaard, 2011, 1109.6706.

The vdW-DF Family of Non-Local Exchange-Correlation Functionals

K. Berland, P. Hyldgaard, E. Schröder, 2017 .

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

P. Hyldgaard, V. Shukla, Yang Jiao, 2019, Journal of physics. Condensed matter : an Institute of Physics journal.

Coarse-grained model for growth of α- and k-Al2O3 on TiC and TiN(111): thin alumina films from density-functional calculations

A. Vojvodić, P. Hyldgaard, J. Rohrer, 2008 .

Bridging between micro- and macroscales of materials by mesoscopic models

P. Hyldgaard, E. Schröder, B. Lundqvist, 2002 .

Site determination and thermally assisted tunneling in homogenous nucleation.

P. Hyldgaard, K. Rieder, G. Meyer, 2003, Physical review letters.

Hard and soft materials: putting consistent van der Waals density functionals to work

P. Hyldgaard, E. Schröder, Vivekanand Shukla, 2021, Electronic Structure.

Interactions mediated by surface states: from pairs and trios to adchains and ordered overlayers

Usa, U. Maryland, College Park, 2004, cond-mat/0408645.

A Density Functional Theory for the Average Electron Energy

P. Hyldgaard, M. Rahm, S. Racioppi, 2023, Journal of chemical theory and computation.

A density functional for sparse matter

Shen Li, P. Hyldgaard, M. Dion, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

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

P. Hyldgaard, 2011, Journal of physics. Condensed matter : an Institute of Physics journal.

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

P. Hyldgaard, M. Persson, K. Rieder, 2000, Physical review letters.

Ab initioinvestigation of monoclinic phase stability and martensitic transformation in crystalline polyethylene

P. Hyldgaard, E. Schröder, P. Olsson, 2018, Physical Review Materials.

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

E. Rotenberg, K. Berland, T. Einstein, 2011, Nano letters.

Surface-state mediated three-adsorbate interaction: electronic nature and nanoscale consequences

T. Einstein, P. Hyldgaard, 2003 .

van der Waals forces in density functional theory : The vdW-DF method

K. Berland, P. Hyldgaard, E. Schröder, 2014 .

Structural and excited-state properties of oligoacene crystals from first principles

Kristian Berland, Jeffrey B. Neaton, Leeor Kronik, 2016, 1604.00041.

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

K. Berland, P. Hyldgaard, 2010, The Journal of chemical physics.

Adsorption of methylamine on-Al 2 O 3 „ 0001 ... and-Cr 2 O 3 „ 0001 ... : Density functional theory

P. Hyldgaard, E. Schröder, Ø. Borck, 2007 .

Ab initio and classical atomistic modelling of structure and defects in crystalline orthorhombic polyethylene : Twin boundaries, slip interfaces, and nature of barriers

P. Hyldgaard, E. Schröder, P. Olsson, 2017 .

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

Duy Le, Per Hyldgaard, Elsebeth Schröder, 2012, Journal of physics. Condensed matter : an Institute of Physics journal.

Low-temperature control of nanoscale molecular dynamics

P. Hyldgaard, 2001 .

Graphene nanogap for gate-tunable quantum-coherent single-molecule electronics

K. Berland, P. Hyldgaard, A. Bergvall, 2011, 1108.4571.

Density-functional theory of nonequilibrium tunneling

P. Hyldgaard, 2008, 0807.4555.

Elastic and inelastic resonant tunnelling in narrow-band systems: application to transport in minibands of semiconductor superlattices

P. Hyldgaard, A. Jauho, 1990 .

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

K. Berland, P. Hyldgaard, E. Schröder, 2015, Physical review letters.

Van der Waals interaction of parallel polymers and nanotubes

P. Hyldgaard, J. Kleis, E. Schroder, 2004, cond-mat/0407107.

Hard numbers on soft matter

P. Hyldgaard, H. Rydberg, D. Langreth, 2003 .

Density-functional bridge between surfaces and interfaces

P. Hyldgaard, H. Rydberg, E. Schröder, 2001 .

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

K. Berland, P. Hyldgaard, E. Schröder, 2014, The Journal of chemical physics.

Stability of and conduction in single-walled Si$_2$BN nanotubes

P. Hyldgaard, Vivekanand Shukla, Deobrat Singh, 2022, 2203.07838.

vdW-DF-ahcx: a range-separated van der Waals density functional hybrid

P. Hyldgaard, V. Shukla, Yang Jiao, 2021, Journal of physics. Condensed matter : an Institute of Physics journal.

Exchange functional that tests the robustness of the plasmon description of the van der Waals density functional

Kristian Berland, Per Hyldgaard, K. Berland, 2013, 1309.1756.

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

P. Hyldgaard, P. Erhart, M. Kuisma, 2016, The journal of physical chemistry. C, Nanomaterials and interfaces.

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

P. Hyldgaard, P. Erhart, M. Kuisma, 2016, ChemSusChem.

Unraveling the Ground-State Structure of BaZrO3 by Neutron Scattering Experiments and First-Principles Calculations

P. Hyldgaard, M. Karlsson, A. Piovano, 2020 .

One-dimensional electron systems for anchoring growth of carbon nanostructures

P. Hyldgaard, B. Lundqvist, B. Razaznejad, 2005 .

Transport in robust fullerene-tube heterostructure transistor

P. Hyldgaard, B. Lundqvist, 2002 .

Microscopic Origin of Thermal Conductivity Reduction in Disordered van der Waals Solids

P. Hyldgaard, P. Erhart, D. Lindroth, 2015 .

Binding of polycyclic aromatic hydrocarbons and graphene dimers in density functional theory

A. Vojvodić, P. Hyldgaard, E. Schröder, 2010 .

First-principles study of the binding energy between nanostructures and its scaling with system size

J. Perdew, J. Tao, P. Hyldgaard, 2018 .

Energy scaling law for nanostructured materials

J. Perdew, J. Tao, P. Hyldgaard, 2017, 1711.00655.

Extent of Fock-exchange mixing for a hybrid van der Waals density functional?

P. Hyldgaard, E. Schröder, Yang Jiao, 2018, The Journal of chemical physics.

Phonon Knudsen flow in nanostructured semiconductor systems

Per Hyldgaard, P. Hyldgaard, Eleni Ziambaras, 2005, cond-mat/0503701.

First stages of oxidation of the Si-rich 3C-SiC(001) surface

P. Hyldgaard, P. Ordejón, R. Rurali, 2005 .

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

K. Berland, P. Hyldgaard, E. Schröder, 2012, Journal of physics. Condensed matter : an Institute of Physics journal.

Band bending and quasi‐2DEG in the metallized β‐SiC(001) surface

P. Hyldgaard, R. Rurali, E. Wachowicz, 2008, 0809.0578.

BaZrO3 stability under pressure: The role of nonlocal exchange and correlation

P. Hyldgaard, G. Wahnström, Erik Jedvik Granhed, 2020, Physical Review B.

The van der Waals Interactions of Concentric Nanotubes

P. Hyldgaard, E. Schroder, 2003, cond-mat/0307017.

Signatures of van der Waals binding: A coupling-constant scaling analysis

P. Hyldgaard, Yang Jiao, E. Schroder, 2017, 1710.00527.

Potassium intercalation in graphite: A van der Waals density-functional study

P. Hyldgaard, J. Kleis, Eleni Ziambaras, 2007, 0704.0055.

Resonant Tunneling with an Electron-Phonon Interaction

P. Hyldgaard, J. Wilkins, S. Hershfield, 1994 .

Control of molecular excitations in nanotube-heterostructure transistors

P. Hyldgaard, 2003 .

Robust nanosized transistor effect in fullerene-tube heterostructure

P. Hyldgaard, B. Lundqvist, 2000 .

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

K. Berland, P. Hyldgaard, T. Rangel, 2017, The Journal of chemical physics.

A Mechanism for Highly Efficient Electrochemical Bubbling Delamination of CVD‐Grown Graphene from Metal Substrates

Jun Deng, Zhaoyao Zhan, Per Hyldgaard, 2016 .

Noise as a diagnostic of tunneling mechanisms

P. Hyldgaard, J. Wilkins, C. Stanton, 1992 .

Site determination and thermally assisted tunneling in homogenous nucleation.

P. Hyldgaard, K. Rieder, G. Meyer, 2003, Physical review letters.

Finite-temperature properties of nonmagnetic transition metals: Comparison of the performance of constraint-based semilocal and nonlocal functionals

P. Hyldgaard, P. Erhart, L. Gharaee, 2016, 1612.00425.

Understanding noninvasive charge transfer doping of graphene: a comparative study

P. Hyldgaard, Johan Liu, Yifeng Fu, 2018, Journal of Materials Science: Materials in Electronics.

Electrostatic Formation of Coupled Si/SiO2 Quantum Dot Systems

Wolfgang Porod, Per Hyldgaard, Henry K. Harbury, 1998, VLSI Design.

Relative stability of $6H$-SiC$\{0001\}$ surface terminations and formation of graphene overlayers by Si evaporation

P. Hyldgaard, J. Rohrer, Eleni Ziambaras, 2011, 1102.2111.

Hydrogen dynamics in magnesium and graphite

Per Hyldgaard, Elsebeth Schröder, Bengt E. Tegner, 2002 .

Evaluation of a density functional with account of van der Waals forces using experimental data of H2 physisorption on Cu(111)

K. Berland, P. Hyldgaard, D. Langreth, 2011, 1109.0726.

A density functional for sparse matter

P. Hyldgaard, M. Dion, E. Schröder, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

A Density Functional for Sparse Matter

P. Hyldgaard, M. Dion, D. Langreth, 2009 .

Van der Waals density functional calculations of binding in molecular crystals

Kristian Berland, Per Hyldgaard, Øyvind Borck, 2010, Comput. Phys. Commun..

Extent of Fock-exchange mixing for a hybrid van der Waals density functional?

P. Hyldgaard, E. Schröder, Yang Jiao, 2018, The Journal of chemical physics.

Interpretation of van der Waals density functionals

K. Berland, P. Hyldgaard, E. Schroder, 2014, 1408.2075.

Binding of polycyclic aromatic hydrocarbons and graphene dimers in density functional theory

A. Vojvodić, P. Hyldgaard, E. Schröder, 2010 .

An assessment of density functionals for predicting CO2 adsorption in diamine-functionalized metal-organic frameworks.

P. Hyldgaard, J. Neaton, Jung‐Hoon Lee, 2022, The Journal of chemical physics.