Investigation of methylene reactions with coupled-cluster molecular dynamics

被引:0
|
作者
Taube, Andrew G. [1 ]
机构
[1] Sandia Natl Labs, Albuquerque, NM 87185 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
359-PHYS
引用
收藏
页数:1
相关论文
共 50 条
  • [41] Coupled-Cluster theory revisited Part II: Analysis of the single-reference Coupled-Cluster equations
    Csirik, Mihaly A.
    Laestadius, Andre
    ESAIM-MATHEMATICAL MODELLING AND NUMERICAL ANALYSIS, 2023, 57 (02) : 545 - 583
  • [42] Parallel algorithms for coupled-cluster methods
    Watts, JD
    PARALLEL COMPUTING, 2000, 26 (7-8) : 857 - 867
  • [43] Coupled-cluster theory in quantum chemistry
    Bartlett, Rodney J.
    Musial, Monika
    REVIEWS OF MODERN PHYSICS, 2007, 79 (01) : 291 - 352
  • [44] A COUPLED-CLUSTER METHOD FOR QUASIDEGENERATE STATES
    MEISSNER, L
    JANKOWSKI, K
    WASILEWSKI, J
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1988, 34 (06) : 535 - 557
  • [45] Higher excitations in coupled-cluster theory
    Kállay, M
    Surján, PR
    JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (07): : 2945 - 2954
  • [46] Coupled-cluster computations of atomic nuclei
    Hagen, G.
    Papenbrock, T.
    Hjorth-Jensen, M.
    Dean, D. J.
    REPORTS ON PROGRESS IN PHYSICS, 2014, 77 (09)
  • [47] Convergence improvement for coupled-cluster calculations
    Mosyagin, NS
    Eliav, E
    Kaldor, U
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2001, 34 (03) : 339 - 343
  • [48] Coupled-cluster theory for nuclear structure
    Dean, DJ
    NUCLEI AT THE LIMITS, 2005, 764 : 283 - 288
  • [49] Early petascale Coupled-Cluster experiences
    Olson, Ryan M.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 242
  • [50] Configuration Weights in Coupled-Cluster Theory
    Kristiansen, Hakon Emil
    Kvernmoen, Hakon
    Kvaal, Simen
    Pedersen, Thomas Bondo
    JOURNAL OF PHYSICAL CHEMISTRY A, 2025, 129 (10): : 2638 - 2654