Laplace transformed MP2 for three dimensional periodic materials using stochastic orbitals in the plane wave basis and correlated sampling

Tobias Schäfer; Benjamin Ramberger; Georg Kresse

doi:10.1063/1.5016100

Laplace transformed MP2 for three dimensional periodic materials using stochastic orbitals in the plane wave basis and correlated sampling

Tobias Schäfer
, Benjamin Ramberger
, Georg Kresse

Computational Materials Physics

Publications: Contribution to journal › Article › Peer Reviewed

Original language	English
Article number	064103
Number of pages	9
Journal	Journal of Chemical Physics
Volume	148
Issue number	6
DOIs	https://doi.org/10.1063/1.5016100
Publication status	Published - 14 Feb 2018

Funding

Funding by the Austrian Science Fund (FWF) within the SFB ViCoM (F41) is gratefully acknowledged. Computations were performed on the Vienna Scientific Cluster, VSC3.

Austrian Fields of Science 2012

103006 Chemical physics

Keywords

PLESSET PERTURBATION-THEORY
LARGE ELECTRONIC SYSTEMS
COHESIVE ENERGY
CRYSTALS
FORMULATION
RESOLUTION
STATE

Access to Document

10.1063/1.5016100

Cite this

@article{1d2c6856c03c4719b9ec838b056c9744,

title = "Laplace transformed MP2 for three dimensional periodic materials using stochastic orbitals in the plane wave basis and correlated sampling",

keywords = "PLESSET PERTURBATION-THEORY, LARGE ELECTRONIC SYSTEMS, COHESIVE ENERGY, CRYSTALS, FORMULATION, RESOLUTION, STATE",

author = "Tobias Sch{\"a}fer and Benjamin Ramberger and Georg Kresse",

note = "Publisher Copyright: {\textcopyright} 2018 Author(s).",

year = "2018",

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day = "14",

doi = "10.1063/1.5016100",

language = "English",

volume = "148",

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publisher = "American Institute of Physics",

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TY - JOUR

T1 - Laplace transformed MP2 for three dimensional periodic materials using stochastic orbitals in the plane wave basis and correlated sampling

AU - Schäfer, Tobias

AU - Ramberger, Benjamin

AU - Kresse, Georg

PY - 2018/2/14

Y1 - 2018/2/14

KW - PLESSET PERTURBATION-THEORY

KW - LARGE ELECTRONIC SYSTEMS

KW - COHESIVE ENERGY

KW - CRYSTALS

KW - FORMULATION

KW - RESOLUTION

KW - STATE

UR - https://arxiv.org/abs/1711.05709

UR - https://www.scopus.com/pages/publications/85041744305

U2 - 10.1063/1.5016100

DO - 10.1063/1.5016100

M3 - Article

SN - 0021-9606

VL - 148

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 6

M1 - 064103

ER -

Laplace transformed MP2 for three dimensional periodic materials using stochastic orbitals in the plane wave basis and correlated sampling

Funding

Austrian Fields of Science 2012

Keywords

Access to Document

Other files and links

Fingerprint

ViCoM II: Vienna Computational Materials Laboratory

Cite this

Laplace transformed MP2 for three dimensional periodic materials using stochastic orbitals in the plane wave basis and correlated sampling

Funding

Austrian Fields of Science 2012

Keywords

Access to Document

Other files and links

Fingerprint

Projects

ViCoM II: Vienna Computational Materials Laboratory

Cite this