Application of the finite-element-discrete-model method for calculating resonance properties

被引：7
作者：
Gallup, G. A. [1 ]
机构：
[1] Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA
来源：
PHYSICAL REVIEW A | 2011年 / 84卷 / 01期
关键词：
DISSOCIATIVE ELECTRON-ATTACHMENT; SCATTERING CROSS-SECTIONS; VIBRATIONAL-EXCITATION; UNIFIED THEORY; FORMALDEHYDE; COLLISIONS; MOLECULES; IMPACT; URACIL; N-2;
D O I：
10.1103/PhysRevA.84.012701
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
A enhanced procedure implementing the finite-element-discrete-model method [R. K. Nesbet, Phys. Rev. A 24,1184 (1981)] for determining atomic or molecular shape resonances and widths is described. The present procedure includes an approximation for the static exchange plus polarization model involving Moller-Plesset perturbation theory. Applications to Mg, N-2, CH2O, and uracil are described. Compared with experiment, the results for Mg are within 5 meV for the resonance position and 75 meV for the width. The vertical geometry results for N-2 and CH2O compare well with experiment insofar as can be determined in the presence of nuclear motion complications. Uracil is calculated as an example where the large dipole moment (4.8 D) has an impact on threshold properties and possible dipole bound states.
引用
收藏
页数：7
相关论文
共 50 条
[31]   Coupled lattice Boltzmann method-discrete element method model for gas-liquid-solid interaction problems [J].
Fei, Linlin ;
Qin, Feifei ;
Wang, Geng ;
Huang, Jingwei ;
Wen, Binghai ;
Zhao, Jianlin ;
Luo, Kai H. ;
Derome, Dominique ;
Carmeliet, Jan .
JOURNAL OF FLUID MECHANICS, 2023, 975
[32]   A hierarchical updating method for finite element model of airbag buffer system under landing impact [J].
He Huan ;
Chen Zhe ;
He Cheng ;
Ni Lei ;
Chen Guoping .
CHINESE JOURNAL OF AERONAUTICS, 2015, 28 (06) :1629-1639
[33]   A hierarchical updating method for finite element model of airbag buffer system under landing impact [J].
He Huan ;
Chen Zhe ;
He Cheng ;
Ni Lei ;
Chen Guoping .
Chinese Journal of Aeronautics , 2015, (06) :1629-1639
[34]   Elimination method of sliding blockage effect in discrete element simulation of rolling stone based on discrete fracture network and damping joint model [J].
Zhou, You ;
Liu, Huai-Zhong ;
Xie, Hong-Qiang ;
Zhuo, Li ;
Xiao, Ming -Li ;
He, Jiang-Da ;
Pei, Jian-Liang ;
Xu, Guo-Wen .
COMPUTERS AND GEOTECHNICS, 2024, 166
[35]   A finite element model of an idealized diarthrodial joint to investigate the effects of variation in the mechanical properties of the tissues [J].
Dar, FH ;
Aspden, RM .
PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART H-JOURNAL OF ENGINEERING IN MEDICINE, 2003, 217 (H5) :341-348
[36]   A Numerical Method for Microstructure Generation of a Binary Aluminum Alloy and Study of Its Mechanical Properties Using the Finite Element Method [J].
Sharifi, Hamid ;
Larouche, Daniel .
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 2014, 45A (13) :5866-5875
[37]   Numerical simulation of multiple hydraulic fracture propagation in heterogeneous coal reservoirs based on combined finite-discrete element method [J].
Xia, Binwei ;
Zhang, Xingguo ;
Ma, Zikun ;
Xu, Xinqin .
FRONTIERS IN EARTH SCIENCE, 2024, 12
[38]   Numerical simulation of the blood oxygenation level-dependent functional magnetic resonance signal using finite element method [J].
Mangini, Fabio ;
DiNuzzo, Mauro ;
Maugeri, Laura ;
Moraschi, Marta ;
Mascali, Daniele ;
Cedola, Alessia ;
Frezza, Fabrizio ;
Giove, Federico ;
Fratini, Michela .
INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN BIOMEDICAL ENGINEERING, 2020, 36 (02)
[39]   Method of Finite Element Model Updating for Identifying the Parameters of Modified Johnson-Cook Constitutive Equation [J].
Shin, Dong-Seok ;
Jeon, Euy-Sik ;
Kim, Young-Shin .
JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE, 2024,
[40]   Optimization of Discrete Element Method Model to Obtain Stable and Reliable Numerical Results of Mechanical Response of Granular Materials [J].
Zhang, Yuyu ;
Li, Li .
MINERALS, 2024, 14 (08)
12345