Fitting of potential energy surfaces using neural networks: application to the study of vibrational levels of H3+

被引：0
|
作者：
机构：
来源：
Journal of Chemical Physics | 1998年 / 109卷 / 20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] NO3 full-dimensional potential energy surfaces and ground state vibrational levels revisited
    Viel, Alexandra
    Eisfeld, Wolfgang
    CHEMICAL PHYSICS, 2018, 509 : 81 - 90
  • [42] Neural Splines: Fitting 3D Surfaces with Infinitely-Wide Neural Networks
    Williams, Francis
    Trager, Matthew
    Bruna, Joan
    Zorin, Denis
    2021 IEEE/CVF CONFERENCE ON COMPUTER VISION AND PATTERN RECOGNITION, CVPR 2021, 2021, : 9944 - 9953
  • [43] Theoretical study on the potential energy surface and vibrational energy levels of HXeI
    Zheng Guo Huang~(a
    Chinese Chemical Letters, 2008, (04) : 501 - 504
  • [44] Theoretical study on the potential energy surface and vibrational energy levels of HXeI
    Huang, Zheng Guo
    Yang, En Cui
    Xie, Dai Qian
    CHINESE CHEMICAL LETTERS, 2008, 19 (04) : 501 - 504
  • [45] Adaptive fitting of potential energy surfaces of small to medium-sized molecules in sum-of-product form: Application to vibrational spectroscopy
    Aerts, Antoine
    Schaefer, Moritz R.
    Brown, Alex
    JOURNAL OF CHEMICAL PHYSICS, 2022, 156 (16):
  • [46] The H3+ rovibrational spectrum revisited with a global electronic potential energy surface
    Velilla, Luis
    Lepetit, Bruno
    Aguado, Alfredo
    Beswick, J. Alberto
    Paniagua, Miguel
    JOURNAL OF CHEMICAL PHYSICS, 2008, 129 (08):
  • [47] An accurate, global, ab initio potential energy surface for the H3+ molecule
    Polyansky, OL
    Prosmiti, R
    Klopper, W
    Tennyson, J
    MOLECULAR PHYSICS, 2000, 98 (05) : 261 - 273
  • [48] Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks
    Pukrittayakamee, A.
    Malshe, M.
    Hagan, M.
    Raff, L. M.
    Narulkar, R.
    Bukkapatnum, S.
    Komanduri, R.
    JOURNAL OF CHEMICAL PHYSICS, 2009, 130 (13):
  • [49] Application of Clustering Algorithms to Partitioning Configuration Space in Fitting Reactive Potential Energy Surfaces
    Guan, Yafu
    Yang, Shuo
    Zhang, Dong H.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 122 (12): : 3140 - 3147
  • [50] Using neural networks to represent potential surfaces as sums of products
    Manzhos, Sergei
    Carrington, Tucker, Jr.
    JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (19):
12345