Bethe-Salpeter correlation energies of atoms and molecules

Christof Holzer; Xin Gui; Michael E. Harding; Georg Kresse; Trygve Helgaker; Wim Klopper

doi:10.1063/1.5047030

Bethe-Salpeter correlation energies of atoms and molecules

Christof Holzer
, Xin Gui
, Michael E. Harding
, Georg Kresse
, Trygve Helgaker
, Wim Klopper (Corresponding author)

Computational Materials Physics

Publications: Contribution to journal › Article › Peer Reviewed

Original language	English
Article number	144106
Number of pages	9
Journal	Journal of Chemical Physics
Volume	149
Issue number	14
DOIs	https://doi.org/10.1063/1.5047030
Publication status	Published - 14 Oct 2018

Funding

C.H. gratefully acknowledges financial support by the Deutsche Forschungsgemeinschaft (DFG) through the Priority Programme No. 1807 (Control of London Dispersion Interactions in Molecular Chemistry). X.G. gratefully acknowledges financial support by the DFG through the Transregional Collaborative Research Centre 88 [Cooperative Effects in Homoand Heterometallic Complexes (3MET)].

Austrian Fields of Science 2012

104022 Theoretical chemistry
103006 Chemical physics
103018 Materials physics

Keywords

RANDOM-PHASE-APPROXIMATION
BASIS-SET CONVERGENCE
HARTREE-FOCK
CORE-VALENCE
TURBOMOLE
CHEMISTRY
EQUATION
KR
AR

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10.1063/1.5047030

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@article{2813fc6fe4814411b2f4d6f0679a607e,

title = "Bethe-Salpeter correlation energies of atoms and molecules",

keywords = "RANDOM-PHASE-APPROXIMATION, BASIS-SET CONVERGENCE, HARTREE-FOCK, CORE-VALENCE, TURBOMOLE, CHEMISTRY, EQUATION, KR, AR",

author = "Christof Holzer and Xin Gui and Harding, \{Michael E.\} and Georg Kresse and Trygve Helgaker and Wim Klopper",

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

year = "2018",

month = oct,

day = "14",

doi = "10.1063/1.5047030",

language = "English",

volume = "149",

journal = "Journal of Chemical Physics",

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TY - JOUR

T1 - Bethe-Salpeter correlation energies of atoms and molecules

AU - Holzer, Christof

AU - Gui, Xin

AU - Harding, Michael E.

AU - Kresse, Georg

AU - Helgaker, Trygve

AU - Klopper, Wim

PY - 2018/10/14

Y1 - 2018/10/14

KW - RANDOM-PHASE-APPROXIMATION

KW - BASIS-SET CONVERGENCE

KW - HARTREE-FOCK

KW - CORE-VALENCE

KW - TURBOMOLE

KW - CHEMISTRY

KW - EQUATION

KW - KR

KW - AR

UR - https://www.scopus.com/pages/publications/85054844046

U2 - 10.1063/1.5047030

DO - 10.1063/1.5047030

M3 - Article

SN - 0021-9606

VL - 149

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 14

M1 - 144106

ER -

Bethe-Salpeter correlation energies of atoms and molecules

Funding

Austrian Fields of Science 2012

Keywords

Access to Document

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