RPA natural orbitals and their application to post-Hartree-Fock electronic structure methods

Benjamin Ramberger; Zoran Sukurma; Tobias Schäfer; Georg Kresse

doi:10.1063/1.5128415

RPA natural orbitals and their application to post-Hartree-Fock electronic structure methods

Benjamin Ramberger
, Zoran Sukurma
, Tobias Schäfer
, Georg Kresse (Corresponding author)

Computational Materials Physics

Publications: Contribution to journal › Article › Peer Reviewed

Original language	English
Article number	214106
Pages (from-to)	214106
Number of pages	11
Journal	Journal of Chemical Physics
Volume	151
Issue number	21
DOIs	https://doi.org/10.1063/1.5128415
Publication status	Published - Dec 2019

Austrian Fields of Science 2012

104014 Surface chemistry
103029 Statistical physics

Keywords

RANDOM-PHASE-APPROXIMATION
SURFACE
TOTAL-ENERGY CALCULATIONS
ULTRASOFT PSEUDOPOTENTIALS
WAVE

Access to Document

10.1063/1.5128415Licence: CC BY 4.0

https://arxiv.org/abs/1909.07089

Cite this

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title = "RPA natural orbitals and their application to post-Hartree-Fock electronic structure methods",

keywords = "RANDOM-PHASE-APPROXIMATION, SURFACE, TOTAL-ENERGY CALCULATIONS, ULTRASOFT PSEUDOPOTENTIALS, WAVE",

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

note = "Publisher Copyright: {\textcopyright} 2019 Author(s).",

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doi = "10.1063/1.5128415",

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AU - Schäfer, Tobias

AU - Kresse, Georg

PY - 2019/12

Y1 - 2019/12

KW - RANDOM-PHASE-APPROXIMATION

KW - SURFACE

KW - TOTAL-ENERGY CALCULATIONS

KW - ULTRASOFT PSEUDOPOTENTIALS

KW - WAVE

UR - https://www.scopus.com/pages/publications/85076378746

U2 - 10.1063/1.5128415

DO - 10.1063/1.5128415

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SP - 214106

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 21

M1 - 214106

ER -

RPA natural orbitals and their application to post-Hartree-Fock electronic structure methods

Austrian Fields of Science 2012

Keywords

Access to Document

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ViCoM II: Vienna Computational Materials Laboratory

Cite this

RPA natural orbitals and their application to post-Hartree-Fock electronic structure methods

Austrian Fields of Science 2012

Keywords

Access to Document

Other files and links

Fingerprint

Projects

ViCoM II: Vienna Computational Materials Laboratory

Cite this