UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 271

Sortiert nach

The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy

Frontiers in chemistry, 2019-07, Vol.7, p.377-377

2019

Link zum Volltext

Verfügbarkeit prüfen

Data‐Driven Materials Science: Status, Challenges, and Perspectives

Advanced science, 2019-11, Vol.6 (21), p.1900808-n/a

2019

Link zum Volltext

Verfügbarkeit prüfen

Random-phase approximation and its applications in computational chemistry and materials science

Journal of materials science, 2012-11, Vol.47 (21), p.7447-7471

2012

Link zum Volltext

Verfügbarkeit prüfen

DScribe: Library of descriptors for machine learning in materials science

Computer physics communications, 2020-02, Vol.247, p.106949, Article 106949

2020

Link zum Volltext

Verfügbarkeit prüfen

Beyond the random-phase approximation for the electron correlation energy: the importance of single excitations

Physical review letters, 2011-04, Vol.106 (15), p.153003-153003, Article 153003

2011

Link zum Volltext

Verfügbarkeit prüfen

Relativistic correction scheme for core-level binding energies from GW

The Journal of chemical physics, 2020-09, Vol.153 (11), p.114110-114110

2020

Link zum Volltext

Verfügbarkeit prüfen

Indirect Auger recombination as a cause of efficiency droop in nitride light-emitting diodes

Applied physics letters, 2011-04, Vol.98 (16)

2011

Link zum Volltext

Verfügbarkeit prüfen

Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra

Advanced science, 2019-05, Vol.6 (9), p.1801367-n/a

2019

Link zum Volltext

Verfügbarkeit prüfen

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-Empirically Tuned Long-Range Corrected Hybrid Functionals

Journal of chemical theory and computation, 2016-02, Vol.12 (2), p.605-614

2016

Link zum Volltext

Verfügbarkeit prüfen

Exploring the random phase approximation: Application to CO adsorbed on Cu(111)

Physical review. B, Condensed matter and materials physics, 2009-07, Vol.80 (4), Article 045402

2009

Link zum Volltext

Verfügbarkeit prüfen

First-principles supercell calculations of small polarons with proper account for long-range polarization effects

New journal of physics, 2018-03, Vol.20 (3), p.33023

2018

Link zum Volltext

Verfügbarkeit prüfen

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods

Journal of chemical theory and computation, 2016-02, Vol.12 (2), p.615-626

2016

Link zum Volltext

Verfügbarkeit prüfen

Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory

New journal of physics, 2015-09, Vol.17 (9), p.93020

2015

Link zum Volltext

Verfügbarkeit prüfen

New perspective on formation energies and energy levels of point defects in nonmetals

Physical review letters, 2012-02, Vol.108 (6), p.066404-066404, Article 066404

2012

Link zum Volltext

Verfügbarkeit prüfen

Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN

Physical review. B, Condensed matter and materials physics, 2008-02, Vol.77 (7), Article 075202

2008

Link zum Volltext

Verfügbarkeit prüfen

Numeric atom-centered-orbital basis sets with valence-correlation consistency from H to Ar

New journal of physics, 2013-12, Vol.15 (12), p.123033-31

2013

Link zum Volltext

Verfügbarkeit prüfen

Effects of strain on the band structure of group-III nitrides

Physical review. B, Condensed matter and materials physics, 2014-09, Vol.90 (12), Article 125118

2014

Link zum Volltext

Verfügbarkeit prüfen

Database-driven high-throughput study of coating materials for hybrid perovskites

New journal of physics, 2019-08, Vol.21 (8), p.83018

2019

Link zum Volltext

Verfügbarkeit prüfen

All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT

New journal of physics, 2018-07, Vol.20 (7), p.73040

2018

Link zum Volltext

Verfügbarkeit prüfen

Detecting stable adsorbates of (1 S )-camphor on Cu(111) with Bayesian optimization

Beilstein journal of nanotechnology, 2020-10, Vol.11 (1), p.1577-1589

2020

Link zum Volltext

Verfügbarkeit prüfen

Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE

ACS nano, 2015-05, Vol.9 (5), p.5391-5404

2015

Link zum Volltext

Verfügbarkeit prüfen

Thermodynamic equilibrium conditions of graphene films on SiC

Physical review letters, 2013-08, Vol.111 (6), p.065502-065502, Article 065502

2013

Link zum Volltext

Verfügbarkeit prüfen

Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN

Applied physics letters, 2009-09, Vol.95 (12)

2009

Link zum Volltext

Verfügbarkeit prüfen

Multi-scale model for the structure of hybrid perovskites: analysis of charge migration in disordered MAPbI3 structures

New journal of physics, 2018-10, Vol.20 (10), p.103013

2018

Link zum Volltext

Verfügbarkeit prüfen

Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theory

New journal of physics, 2013-12, Vol.15 (12), p.123028-25

2013

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 271

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(233)
Mit Volltextzugriff
(266)

Publikationsform

Sprache

Englisch
(262)
Japanisch
(45)
Deutsch
(4)
Spanisch
(1)

Erscheinungsjahr

n.n

Thema

Science & Technology
(176)
Physical Sciences
(124)
Physics
(102)
Technology
(72)
Materials Science
(64)
Materials Science, Multidisciplinary
(61)
Physics, Applied
(47)
Chemistry
(46)
Life Sciences & Biomedicine
(38)
Science & Technology - Other Topics
(38)
Physics, Condensed Matter
(34)
Chemistry, Physical
(33)
Humans
(28)
Mathematical Analysis
(28)
Physics, Atomic, Molecular & Chemical
(23)
Physics, Multidisciplinary
(23)
Nanoscience & Nanotechnology
(22)
Density Functional Theory
(20)
Machine Learning
(19)
Male
(19)

15 weitere anzeigen...

Weniger anzeigen...

Zeitschrift / Serie

5 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 90 Tagen
(4)

Menü

Weitere Dienste

Einstellungen

The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy

Data‐Driven Materials Science: Status, Challenges, and Perspectives

Random-phase approximation and its applications in computational chemistry and materials science

DScribe: Library of descriptors for machine learning in materials science

Beyond the random-phase approximation for the electron correlation energy: the importance of single excitations

Relativistic correction scheme for core-level binding energies from GW

Indirect Auger recombination as a cause of efficiency droop in nitride light-emitting diodes

Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-Empirically Tuned Long-Range Corrected Hybrid Functionals

Exploring the random phase approximation: Application to CO adsorbed on Cu(111)

First-principles supercell calculations of small polarons with proper account for long-range polarization effects

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods

Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory

New perspective on formation energies and energy levels of point defects in nonmetals

Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN

Numeric atom-centered-orbital basis sets with valence-correlation consistency from H to Ar

Effects of strain on the band structure of group-III nitrides

Database-driven high-throughput study of coating materials for hybrid perovskites

All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT

Detecting stable adsorbates of (1 S )-camphor on Cu(111) with Bayesian optimization

Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE

Thermodynamic equilibrium conditions of graphene films on SiC

Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN

Multi-scale model for the structure of hybrid perovskites: analysis of charge migration in disordered MAPbI3 structures

Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theory

Suchergebnisse filtern