Görling, Andreas: search on Z-Library

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1

Efficient localized Hartree–Fock methods as effective exact-exchange Kohn–Sham methods for molecules

Della Sala, Fabio, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 390 KB

english, 2001

2

Open-shell localized Hartree–Fock approach for an efficient effective exact-exchange Kohn–Sham treatment of open-shell atoms and molecules

Della Sala, Fabio, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 593 KB

english, 2003

3

Orbital- and state-dependent functionals in density-functional theory

Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 408 KB

english, 2005

4

The asymptotic region of the Kohn–Sham exchange potential in molecules

Della Sala, Fabio, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 770 KB

english, 2002

5

[AIP RADIATION DAMAGE IN BIOMOLECULAR SYSTEMS: Proceedings of the 5th International Conference (RADAM 2008) - Debrecen (Hungary) (13–15 June 2008)] AIP Conference Proceedings - Energetics of the all-trans→13-cis isomerization of the retinal chromophore of bacteriorhodopsin: Electronic structure calculations for a simple model system

Woywod, Clemens, Vallet, Valérie, Li, Jingrui, Görling, Andreas, Tokési, Károly, Sulik, Béla

Year:

2008

Language:

english

File:

PDF, 1.55 MB

english, 2008

6

Rydberg states with quantum Monte Carlo

Bande, Annika, Lüchow, Arne, Della Sala, Fabio, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 252 KB

english, 2006

7

Advantages and limitations of Kohn–Sham orbitals as single electron basis for multireference configuration interaction and multireference perturbation theory

Hupp, Thomas, Engels, Bernd, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 344 KB

english, 2003

8

Carbon on Platinum Substrates: From Carbidic to Graphitic Phases on the (111) Surface and on Nanoparticles †

Viñes, Francesc, Neyman, Konstantin M., Görling, Andreas

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 3.63 MB

english, 2009

9

The Surface Trans Effect: Influence of Axial Ligands on the Surface Chemical Bonds of Adsorbed Metalloporphyrins

Hieringer, Wolfgang, Flechtner, Ken, Kretschmann, Andreas, Seufert, Knud, Auwärter, Willi, Barth, Johannes V., Görling, Andreas, Steinrück, Hans-Peter, Gottfried, J. Michael

Journal:

Journal of the American Chemical Society

Year:

2011

Language:

english

File:

PDF, 1.30 MB

english, 2011

10

Efficient methods to calculate dynamic hyperpolarizability tensors by time-dependent density-functional theory

Hait Heinze, Habbo, Della Sala, Fabio, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 635 KB

english, 2002

11

Closed-form expression relating the second-order component of the density functional theory correlation energy to its functional derivative

Ivanov, Stanislav, Lopez-Boada, Roberto, Görling, Andreas, Levy, Mel

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 408 KB

english, 1998

12

Resolution of identity approach for the Kohn-Sham correlation energy within the exact-exchange random-phase approximation

Bleiziffer, Patrick, Heßelmann, Andreas, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 835 KB

english, 2012

13

Density- and density-matrix-based coupled Kohn–Sham methods for dynamic polarizabilities and excitation energies of molecules

Görling, Andreas, Heinze, Habbo H., Ruzankin, Sergey Ph., Staufer, Markus, Rösch, Notker

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 418 KB

english, 1999

14

Molecular photoionization cross sections by the Lobatto technique. I. Valence photoionization

Wilhelmy, Immanuel, Ackermann, Lutz, Görling, Andreas, Rösch, Notker

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.48 MB

english, 1994

15

Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree–Fock

Heßelmann, Andreas, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 621 KB

english, 2011

16

Toward Ionic-Liquid-Based Model Catalysis: Growth, Orientation, Conformation, and Interaction Mechanism of the [Tf 2 N] − Anion in [BMIM][Tf 2 N] Thin Films on a Well-Ordered Alumina Surface

Sobota, Marek, Nikiforidis, Ioannis, Hieringer, Wolfgang, Paape, Natalia, Happel, Markus, Steinrück, Hans-Peter, Görling, Andreas, Wasserscheid, Peter, Laurin, Mathias, Libuda, Jörg

Journal:

Year:

2010

Language:

english

File:

PDF, 1.27 MB

english, 2010

17

Multiconfiguration optimized effective potential method for a density-functional treatment of static correlation

Weimer, Martin, Della Sala, Fabio, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 787 KB

english, 2008

18

Graphene on Ni(111): Coexistence of Different Surface Structures

Zhao, Wei, Kozlov, Sergey M., Höfert, Oliver, Gotterbarm, Karin, Lorenz, Michael P. A., Viñes, Francesc, Papp, Christian, Görling, Andreas, Steinrück, Hans-Peter

Journal:

The Journal of Physical Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 884 KB

english, 2011

19

Efficient self-consistent treatment of electron correlation within the random phase approximation

Bleiziffer, Patrick, Heßelmann, Andreas, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 960 KB

english, 2013

20

Hyperfine coupling constants of the nitrogen and phosphorus atoms: A challenge for exact-exchange density-functional and post-Hartree–Fock methods

Kaupp, Martin, Arbuznikov, Alexei V., Heßelmann, Andreas, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.07 MB

english, 2010

21

Qualitatively Correct Charge-Transfer Excitation Energies in HeH + by Time-Dependent Density-Functional Theory Due to Exact Exchange Kohn−Sham Eigenvalue Differences

Gimon, Tino, Ipatov, Andrey, Heßelmann, Andreas, Görling, Andreas

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 211 KB

english, 2009

22

An efficient method for calculating molecular excitation energies by time-dependent density-functional theory

Heinze, Habbo H., Görling, Andreas, Rösch, Notker

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 354 KB

english, 2000

23

Numerically stable optimized effective potential method with balanced Gaussian basis sets

Heßelmann, Andreas, Götz, Andreas W., Della Sala, Fabio, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1.50 MB

english, 2007

24

Chemical Fingerprints of Large Organic Molecules in Scanning Tunneling Microscopy: Imaging Adsorbate−Substrate Coupling of Metalloporphyrins

Buchner, Florian, Warnick, Karl-Georg, Wölfle, Thorsten, Görling, Andreas, Steinrück, Hans-Peter, Hieringer, Wolfgang, Marbach, Hubertus

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 2.62 MB

english, 2009

25

Hybrid schemes combining the Hartree–Fock method and density-functional theory: Underlying formalism and properties of correlation functionals

Görling, Andreas, Levy, Mel

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 378 KB

english, 1997

26

Kinetics of the sulfur oxidation on palladium: A combined in situ x-ray photoelectron spectroscopy and density-functional study

Gotterbarm, Karin, Luckas, Nicola, Höfert, Oliver, Lorenz, Michael P. A., Streber, Regine, Papp, Christian, Viñes, Francesc, Steinrück, Hans-Peter, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.15 MB

english, 2012

27

Density Functional Calculations and IR Reflection Absorption Spectroscopy on the Interaction of SO 2 with Oxide-Supported Pd Nanoparticles

Luckas, Nicola, Viñes, Francesc, Happel, Markus, Desikusumastuti, Aine, Libuda, Jörg, Görling, Andreas

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 3.57 MB

english, 2010

28

Relation between exchange-only optimized potential and Kohn–Sham methods with finite basis sets, and effect of linearly dependent products of orbital basis functions

Görling, Andreas, Heßelmann, Andreas, Jones, Martin, Levy, Mel

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 724 KB

english, 2008

29

Open-shell localized Hartree–Fock method based on the generalized adiabatic connection Kohn–Sham formalism for a self-consistent treatment of excited states

Vitale, Vincenzo, Della Sala, Fabio, Görling, Andreas

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 714 KB

english, 2005

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