Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Plane-Wave Relativistic Density Functional Theory (vol 123, pg 4201, 2019)

被引：0
|
作者：
Jerabek, Paul
Smits, Odile R.
Mewes, Jan-Michael
Peterson, Kirk A.
Schwerdtfeger, Peter
机构：
来源：
JOURNAL OF PHYSICAL CHEMISTRY A | 2019年 / 123卷 / 38期
关键词：
D O I：
10.1021/acs.jpca.9b08424
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
引用
收藏
页码：8333 / 8333
页数：1
相关论文
共 4 条
  • [1] Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Plane-Wave Relativistic Density Functional Theory
    Jerabek, Paul
    Smits, Odile R.
    Mewes, Jan-Michael
    Peterson, Kirk A.
    Schwerdtfeger, Peter
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 123 (19): : 4201 - 4211
  • [2] First-principles melting of krypton and xenon based on many-body relativistic coupled-cluster interaction potentials
    Smits, O. R.
    Jerabek, P.
    Pahl, E.
    Schwerdtfeger, P.
    [J]. PHYSICAL REVIEW B, 2020, 101 (10)
  • [3] Nature of Alkali Ion-Water Interactions: Insights from Many-Body Representations and Density Functional Theory. II (vol 16, pg 3055, 2020)
    Egan, Colin K.
    Bizzarro, Brandon B.
    Riera, Marc
    Paesani, Francesco
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2020, 16 (08) : 5422 - 5424
  • [4] The quadrupole moment of the 3/2+ nuclear ground state of 197Au from electric field gradient relativistic coupled cluster and density-functional theory of small molecules and the solid state -: art. no. 124317
    Schwerdtfeger, P
    Bast, R
    Gerry, MCL
    Jacob, CR
    Jansen, M
    Kellö, V
    Mudring, AV
    Sadlej, AJ
    Saue, T
    Söhnel, T
    Wagner, FE
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (12):
1