Ab initio QCISD(T) calculations of the ground potential energy surface of He3+

被引:0
|
作者
机构
来源
J Phys Chem | / 36卷 / 13397期
关键词
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [41] Ab initio potential energy surface for vibrational state calculations of H2CO
    Yagi, K
    Oyanagi, C
    Taketsugu, T
    Hirao, K
    JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (04): : 1653 - 1660
  • [42] Collisional excitation of NH(3Σ-) by Ar: A new ab initio 3D potential energy surface and scattering calculations
    Prudenzano, D.
    Lique, F.
    Ramachandran, R.
    Bizzocchi, L.
    Caselli, P.
    JOURNAL OF CHEMICAL PHYSICS, 2019, 150 (21):
  • [43] An accurate ab initio calculation on potential of the ground states of the He and Li atoms
    Wang, YB
    CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 1996, 17 (04): : 630 - 632
  • [44] A global ab initio potential energy surface for formaldehyde
    Zhang, XB
    Zou, SL
    Harding, LB
    Bowman, JM
    JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (41): : 8980 - 8986
  • [45] Global ab initio ground-state potential energy surface of N4
    Paukku, Yuliya
    Yang, Ke R.
    Varga, Zoltan
    Truhlar, Donald G.
    JOURNAL OF CHEMICAL PHYSICS, 2013, 139 (04):
  • [46] Full-dimensional analytical ab initio potential energy surface of the ground state of HOI
    de Oliveira-Filho, Antonio G. S.
    Aoto, Yuri A.
    Ornellas, Fernando R.
    JOURNAL OF CHEMICAL PHYSICS, 2011, 135 (04):
  • [47] Ab initio potential energy surface for HeF2 in its ground electronic state
    Lourderaj, U
    Sathyamurthy, N
    CHEMICAL PHYSICS, 2005, 308 (03) : 277 - 284
  • [48] Ab initio properties and potential energy surface of the ground electronic state of BeHe2+
    Page, Alister J.
    Wilson, David J. D.
    von Nagy-Felsobuki, Ellak I.
    CHEMICAL PHYSICS LETTERS, 2006, 429 (1-3) : 335 - 340
  • [49] Ab initio potential energy curves and transition dipole moments for the interaction of a ground state He with Na(3s-3p)
    Allouche, A. R.
    Alioua, K.
    Bouledroua, M.
    Aubert-Frecon, M.
    CHEMICAL PHYSICS, 2009, 355 (01) : 85 - 89
  • [50] Long-Range Complex in the HC3N + CN Potential Energy Surface: Ab Initio Calculations and Intermolecular Potential
    de Aragao, Emilia Valenca Ferreira
    Mancini, Luca
    Faginas-Lago, Noelia
    Rosi, Marzio
    Balucani, Nadia
    Pirani, Fernando
    COMPUTATIONAL SCIENCE AND ITS APPLICATIONS, ICCSA 2021, PT X, 2021, 12958 : 413 - 425