Excited states for orbital-optimized second-order perturbation theory

被引:0
|
作者
Ramos, Eloy [1 ,2 ]
Head-Gordon, Martin [1 ]
机构
[1] Univ Calif Berkeley, Berkeley, CA 94720 USA
[2] Univ Basque Country, Donostia San Sebastian, Spain
来源
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2017年 / 253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
572
引用
收藏
页数:1
相关论文
共 50 条
  • [41] Assessing the orbital-optimized unitary Ansatz for density cumulant theory
    Misiewicz, Jonathon P.
    Turney, Justin M.
    Schaefer, Henry F.
    Sokolov, Alexander Yu.
    JOURNAL OF CHEMICAL PHYSICS, 2020, 153 (24)
  • [42] A Constraint-Based Orbital-Optimized Excited State Method (COOX)
    Kussmann, Joerg
    Lemke, Yannick
    Weinbrenner, Anthea
    Ochsenfeld, Christian
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024, 20 (19) : 8461 - 8473
  • [43] Orbital Optimized Density Functional Theory for Electronic Excited States
    Hait, Diptarka
    Head-Gordon, Martin
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, 12 (19) : 4517 - 4529
  • [44] Second-order perturbation energy corrections for the optimized effective potential for atoms
    Talman, JD
    PHYSICAL REVIEW A, 2005, 72 (04):
  • [45] The role of atomic excited states of Au on N2O capture and activation: A multireference second-order perturbation theory study
    Olvera-Neria, Oscar
    Bertin, Virineya
    Poulain, Enrique
    JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (24)
  • [46] Multiconfigurational Second-Order Perturbation Theory Restricted Active Space (RASPT2) Method for Electronic Excited States: A Benchmark Study
    Sauri, Vicenta
    Serrano-Andres, Luis
    Shahi, Abdul Rehaman Moughal
    Gagliardi, Laura
    Vancoillie, Steven
    Pierloot, Kristine
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2011, 7 (01) : 153 - 168
  • [47] On the sign of the second-order energy shift in the Rayleigh-Schrodinger perturbation theory for a highly excited state
    Bera, Nabakumar
    Bhattacharyya, Kamal
    Bhattacharjee, Jayanta K.
    JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL, 2008, 41 (04)
  • [48] The model of the local Universe in the framework of the second-order perturbation theory
    Sikora, Szymon
    Ostrowski, Jan J.
    CLASSICAL AND QUANTUM GRAVITY, 2024, 41 (23)
  • [49] ASYMMETRIC NUCLEAR MATTER IN SECOND-ORDER PERTURBATION-THEORY
    COTE, J
    ROUBEN, B
    PEARSON, JM
    CANADIAN JOURNAL OF PHYSICS, 1973, 51 (15) : 1619 - 1626
  • [50] Computation of second-order traveltime perturbation by Hamiltonian ray theory
    Farra, V
    GEOPHYSICAL JOURNAL INTERNATIONAL, 1999, 136 (01) : 205 - 217