Gruneis, Andreas: search on Z-Library

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1

Surface Floating 2D Bands in Layered Nonsymmorphic Semimetals: ZrSiS and Related Compounds

Topp, Andreas, Queiroz, Raquel, Grüneis, Andreas, Müchler, Lukas, Rost, Andreas W., Varykhalov, Andrei, Marchenko, Dmitry, Krivenkov, Maxim, Rodolakis, Fanny, McChesney, Jessica L., Lotsch, Bettina V.

Journal:

Physical Review X

Year:

2017

Language:

english

File:

PDF, 1.50 MB

english, 2017

2

Assessment of correlation energies based on the random-phase approximation

Paier, Joachim, Ren, Xinguo, Rinke, Patrick, Scuseria, Gustavo E, Grüneis, Andreas, Kresse, Georg, Scheffler, Matthias

Journal:

New Journal of Physics

Year:

2012

Language:

english

File:

PDF, 178 KB

english, 2012

3

Low rank factorization of the Coulomb integrals for periodic coupled cluster theory

Hummel, Felix, Tsatsoulis, Theodoros, Grüneis, Andreas

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 560 KB

english, 2017

4

From plane waves to local Gaussians for the simulation of correlated periodic systems

Booth, George H., Tsatsoulis, Theodoros, Chan, Garnet Kin-Lic, Grüneis, Andreas

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 599 KB

english, 2016

5

Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy

Al-Hamdani, Yasmine S., Rossi, Mariana, Alfè, Dario, Tsatsoulis, Theodoros, Ramberger, Benjamin, Brandenburg, Jan Gerit, Zen, Andrea, Kresse, Georg, Grüneis, Andreas, Tkatchenko, Alexandre, Michaelide

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 3.39 MB

english, 2017

6

Efficient Explicitly Correlated Many-Electron Perturbation Theory for Solids: Application to the Schottky Defect in MgO

Grüneis, Andreas

Journal:

Physical Review Letters

Year:

2015

Language:

english

File:

PDF, 222 KB

english, 2015

7

Full configuration interaction perspective on the homogeneous electron gas

Shepherd, James J., Booth, George, Grüneis, Andreas, Alavi, Ali

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 469 KB

english, 2012

8

Structural and electronic properties of lead chalcogenides from first principles

Hummer, Kerstin, Grüneis, Andreas, Kresse, Georg

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 310 KB

english, 2007

9

Perspective: Explicitly correlated electronic structure theory for complex systems

Grüneis, Andreas, Hirata, So, Ohnishi, Yu-ya, Ten-no, Seiichiro

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 3.04 MB

english, 2017

10

Duality of Ring and Ladder Diagrams and Its Importance for Many-Electron Perturbation Theories

Irmler, Andreas, Gallo, Alejandro, Hummel, Felix, Grüneis, Andreas

Journal:

Physical Review Letters

Year:

2019

Language:

english

File:

PDF, 292 KB

english, 2019

11

Ionization Potentials of Solids: The Importance of Vertex Corrections

Grüneis, Andreas, Kresse, Georg, Hinuma, Yoyo, Oba, Fumiyasu

Journal:

Physical Review Letters

Year:

2014

Language:

english

File:

PDF, 244 KB

english, 2014

12

Communication: Finite size correction in periodic coupled cluster theory calculations of solids

Liao, Ke, Grüneis, Andreas

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 315 KB

english, 2016

13

A comparison between quantum chemistry and quantum Monte Carlo techniques for the adsorption of water on the (001) LiH surface

Tsatsoulis, Theodoros, Hummel, Felix, Usvyat, Denis, Schütz, Martin, Booth, George H., Binnie, Simon S., Gillan, Michael J., Alfè, Dario, Michaelides, Angelos, Grüneis, Andreas

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.04 MB

english, 2017

14

A many-electron perturbation theory study of the hexagonal boron nitride bilayer system*

Hummel, Felix, Gruber, Thomas, Grüneis, Andreas

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Year:

2016

Language:

english

File:

PDF, 376 KB

english, 2016

15

Towards an exact description of electronic wavefunctions in real solids

Booth, George H., Grüneis, Andreas, Kresse, Georg, Alavi, Ali

Journal:

Year:

2012

Language:

english

File:

PDF, 471 KB

english, 2012

16

Coupled Cluster Theory in Materials Science

Zhang, Igor Ying, Grüneis, Andreas

Journal:

Frontiers in Materials

Year:

2019

Language:

english

File:

PDF, 756 KB

english, 2019

17

Band alignment of semiconductors from density-functional theory and many-body perturbation theory

Hinuma, Yoyo, Grüneis, Andreas, Kresse, Georg, Oba, Fumiyasu

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 430 KB

english, 2014

18

Screened exchange corrections to the random phase approximation from many-body perturbation theory

Hummel, Felix, Grüneis, Andreas, Kresse, Georg, Ziesche, Paul

Journal:

Journal of Chemical Theory and Computation

Year:

2019

Language:

english

File:

PDF, 913 KB

english, 2019

19

[IEEE 2011 18th IEEE International Conference and Workshops on Engineering of Computer Based Systems (ECBS) - Las Vegas, NV, USA (2011.04.27-2011.04.29)] 2011 18th IEEE International Conference and Workshops on Engineering of Computer-Based Systems - Model-Driven In-the-Loop Validation: Simulation-Based Testing of UAV Software Using Virtual Environments

Mutter, Florian, Gareis, Stefanie, Schätz, Bernhard, Bayha, Andreas, Grüneis, Franziska, Kanis, Michael, Koss, Dagmar

Year:

2011

Language:

english

File:

PDF, 2.36 MB

english, 2011

20

from first principles

Grüneis, Andreas, Hummer, Kerstin, Marsman, Martijn, Kresse, Georg

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 1.30 MB

english, 2008

21

A coupled cluster and Møller-Plesset perturbation theory study of the pressure induced phase transition in the LiH crystal

Grüneis, Andreas

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 565 KB

english, 2015

22

A comparative study using state-of-the-art electronic structure theories on solid hydrogen phases under high pressures

Liao, Ke, Li, Xin-Zheng, Alavi, Ali, Grüneis, Andreas

Journal:

npj Computational Materials

Year:

2019

File:

PDF, 699 KB

2019

23

Particle-particle ladder based basis-set corrections applied to atoms and molecules using coupled-cluster theory

Irmler, Andreas, Grüneis, Andreas

Journal:

The Journal of Chemical Physics

Year:

2019

File:

PDF, 1.18 MB

2019

24

Many-Body Quantum Chemistry for the Electron Gas: Convergent Perturbative Theories

Shepherd, James J., Grüneis, Andreas

Journal:

Physical Review Letters

Year:

2013

Language:

english

File:

PDF, 223 KB

english, 2013

25

Detecting Individual Electrons Using a Carbon Nanotube Field-Effect Transistor

Gruneis, Andreas, Esplandiu, Maria J., Garcia-Sanchez, Daniel, Bachtold, Adrian

Journal:

Year:

2007

Language:

english

File:

PDF, 207 KB

english, 2007

26

Combined Ultra High Vacuum Raman and Electronic Transport Characterization of Large-Area Graphene on SiO 2

Hell, Martin G., Falke, Yannic, Bliesener, Andrea, Ehlen, Niels, Senkovskiy, Boris V., Szkopek, Thomas, Grüneis, Alexander

Journal:

physica status solidi (b)

Year:

2018

Language:

english

File:

PDF, 1.29 MB

english, 2018

27

Particle-particle ladder based basis-set corrections applied to atoms and molecules using coupled-cluster theory

Irmler, Andreas, Grüneis, Andreas

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.18 MB

english, 2019

28

Convergence of many-body wave-function expansions using a plane-wave basis: From homogeneous electron gas to solid state systems

Shepherd, James J., Grüneis, Andreas, Booth, George H., Kresse, Georg, Alavi, Ali

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.15 MB

english, 2012

29

Reaction energetics of hydrogen on Si(100) surface: A periodic many-electron theory study

Tsatsoulis, Theodoros, Sakong, Sung, Groß, Axel, Grüneis, Andreas

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 659 KB

english, 2018

30

Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit

Gruber, Thomas, Liao, Ke, Tsatsoulis, Theodoros, Hummel, Felix, Grüneis, Andreas

Journal:

Physical Review X

Year:

2018

Language:

english

File:

PDF, 440 KB

english, 2018

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