Equation-of-motion relativistic coupled-cluster theory

被引：0
|
作者：
Li, Xiaosong [1 ]
Williams-Young, David [1 ]
Kaulias, Lauren [1 ]
DePrince, A. [2 ]
Silva, Daniel [2 ]
机构：
[1] Univ Washington, Dept Chem, Seattle, WA 98195 USA
[2] Florida State Univ, Tallahassee, FL 32306 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2018年 / 256卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
159
引用
收藏
页数：1
相关论文
共 50 条
  • [1] Relativistic coupled-cluster and equation-of-motion coupled-cluster methods
    Liu, Junzi
    Cheng, Lan
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2021, 11 (06)
  • [2] Coupled-cluster theory and its equation-of-motion extensions
    Bartlett, Rodney J.
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2012, 2 (01) : 126 - 138
  • [3] Relativistic equation-of-motion coupled-cluster method for the electron attachment problem
    Pathak, Himadri
    Sasmal, Sudip
    Nayak, Malaya K.
    Vaval, Nayana
    Pal, Sourav
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 1076 : 94 - 100
  • [4] Relativistic equation-of-motion coupled-cluster method for the ionization problem: Application to molecules
    Pathak, Himadri
    Sasmal, Sudip
    Nayak, Malaya K.
    Vaval, Nayana
    Pal, Sourav
    PHYSICAL REVIEW A, 2014, 90 (06):
  • [5] Excitons in Solids from Periodic Equation-of-Motion Coupled-Cluster Theory
    Wang, Xiao
    Berkelbach, Timothy C.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2020, 16 (05) : 3095 - 3103
  • [6] Similarity-transformed equation-of-motion vibrational coupled-cluster theory
    Faucheaux, Jacob A.
    Nooijen, Marcel
    Hirata, So
    JOURNAL OF CHEMICAL PHYSICS, 2018, 148 (05)
  • [7] On the Relation between Equation-of-Motion Coupled-Cluster Theory and the GW Approximation
    Lange, Malte F.
    Berkelbach, Timothy C.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018, 14 (08) : 4224 - 4236
  • [8] Complex-absorbing potentials in equation-of-motion coupled-cluster theory
    Jagau, Thomas
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
  • [9] Perturbative corrections to coupled-cluster and equation-of-motion coupled-cluster energies: A determinantal analysis
    Hirata, S
    Nooijen, M
    Grabowski, I
    Bartlett, RJ
    JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (09) : 3919 - 3928
  • [10] Relativistic Real-Time Time-Dependent Equation-of-Motion Coupled-Cluster
    Koulias, Lauren N.
    Williams-Young, David B.
    Nascimento, Daniel R.
    DePrince, A. Eugene, III
    Li, Xiaosong
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019, 15 (12) : 6617 - 6624
12345