The cohesive energy of superheavy element copernicium determined from accurate relativistic coupled-cluster theory

K. G. Steenbergen; J-M. Mewes; L. F. Pasteka; H. W. Gaggeler; G. Kresse; E. Pahl; P. Schwerdtfeger

doi:10.1039/c7cp07203a

The cohesive energy of superheavy element copernicium determined from accurate relativistic coupled-cluster theory

K. G. Steenbergen
, J-M. Mewes
, L. F. Pasteka
, H. W. Gaggeler
, G. Kresse
, E. Pahl
, P. Schwerdtfeger (Korresp. Autor*in)

Computergestützte Materialphysik

Veröffentlichungen: Beitrag in Fachzeitschrift › Artikel › Peer Reviewed

Originalsprache	Englisch
Seiten (von - bis)	32286-32295
Seitenumfang	10
Fachzeitschrift	Physical Chemistry Chemical Physics
Jahrgang	19
Ausgabenummer	48
DOIs	https://doi.org/10.1039/c7cp07203a
Publikationsstatus	Veröffentlicht - 28 Dez. 2017

ÖFOS 2012

104017 Physikalische Chemie

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10.1039/c7cp07203a

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ViCoM II: Vienna Computational Materials Laboratory
Süss, D. (Co-Projektleiter*in), Kresse, G. (Projektleiter*in), Held, K. (Co-Projektleiter*in), Verstraete, F. (Co-Projektleiter*in), Burgdorfer, J. (Projektleiter*in), Mauser, N. (Co-Projektleiter*in), Blaha, P. (Co-Projektleiter*in), Mohn, P. (Co-Projektleiter*in), Podloucky, R. (Co-Projektleiter*in), Dellago, C. (Co-Projektleiter*in) & Resch, A. (Projektadministrator*in)
1/06/10 → 30/06/19
Projekt: Forschungsförderung

Zitationsweisen

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title = "The cohesive energy of superheavy element copernicium determined from accurate relativistic coupled-cluster theory",

keywords = "INITIO MOLECULAR-DYNAMICS, WAVE BASIS-SET, ELECTRONIC CORRELATIONS, HEAVIEST ELEMENTS, HIGH-PRESSURE, CHEMISTRY, MERCURY, SOLIDS, METALS, PSEUDOPOTENTIALS",

author = "Steenbergen, \{K. G.\} and J-M. Mewes and Pasteka, \{L. F.\} and Gaggeler, \{H. W.\} and G. Kresse and E. Pahl and P. Schwerdtfeger",

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doi = "10.1039/c7cp07203a",

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AU - Steenbergen, K. G.

AU - Mewes, J-M.

AU - Pasteka, L. F.

AU - Gaggeler, H. W.

AU - Kresse, G.

AU - Pahl, E.

AU - Schwerdtfeger, P.

PY - 2017/12/28

Y1 - 2017/12/28

KW - INITIO MOLECULAR-DYNAMICS

KW - WAVE BASIS-SET

KW - ELECTRONIC CORRELATIONS

KW - HEAVIEST ELEMENTS

KW - HIGH-PRESSURE

KW - CHEMISTRY

KW - MERCURY

KW - SOLIDS

KW - METALS

KW - PSEUDOPOTENTIALS

UR - https://www.scopus.com/pages/publications/85038420302

U2 - 10.1039/c7cp07203a

DO - 10.1039/c7cp07203a

M3 - Article

SN - 1463-9076

VL - 19

SP - 32286

EP - 32295

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 48

ER -

The cohesive energy of superheavy element copernicium determined from accurate relativistic coupled-cluster theory

ÖFOS 2012

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ViCoM II: Vienna Computational Materials Laboratory

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