Diffusion Monte Carlo approaches for studying rotation/vibration couplings astrochemical ions

被引:0
作者
McCoy, Anne [1 ]
Ford, Jason [1 ]
Lin, Zhou [1 ]
Marlett, Melanie [1 ]
Petit, Andrew [1 ]
机构
[1] Ohio State Univ, Chem & Biochem, Columbus, OH 43210 USA
来源
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2015年 / 250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
355
引用
收藏
页数:1
相关论文
共 34 条
[21]   Adatom diffusion on a square lattice:: Comparison of real-space renormalization group and Monte Carlo approaches [J].
Tarasenko, AA ;
Jastrabík, L ;
Nieto, F ;
Uebing, C .
PHYSICAL REVIEW B, 1999, 59 (12) :8252-8261
[22]   Adiabatic diffusion Monte Carlo approaches for studies of ground and excited state properties of van der Waals complexes [J].
Lee, HS ;
Herbert, JM ;
McCoy, AB .
JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (12) :5481-5484
[23]   Using fixed-node diffusion Monte Carlo to investigate the effects of rotation-vibration coupling in highly fluxional asymmetric top molecules: Application to H2D+ [J].
Petit, Andrew S. ;
Wellen, Bethany A. ;
McCoy, Anne B. .
JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (03)
[24]   Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited [J].
Casula, Michele ;
Moroni, Saverio ;
Sorella, Sandro ;
Filippi, Claudia .
JOURNAL OF CHEMICAL PHYSICS, 2010, 132 (15)
[25]   Transverse diffusion measurements and comparisons with Monte Carlo simulation and Gram-Charlier calculations for Cs+ ions drifting in He gas [J].
Li, MM ;
Ong, PP ;
Zhou, ZL .
JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (23) :9547-9550
[26]   Explicitly correlated wave functions for atoms and singly charged ions from Li through Sr: Variational and Diffusion Monte Carlo results [J].
Buendia, E. ;
Galvez, F. J. ;
Maldonado, P. ;
Sarsa, A. .
CHEMICAL PHYSICS LETTERS, 2014, 615 :21-25
[27]   CA3D: A Monte Carlo code to simulate 3D buffered diffusion of ions in sub-membrane domains [J].
Gil, A ;
Segura, J .
COMPUTER PHYSICS COMMUNICATIONS, 2001, 136 (03) :269-293
[28]   Multiphysics analysis of the MSFR helium bubbling system: A comparison between neutron diffusion, SP3 neutron transport and Monte Carlo approaches [J].
Cervi, Eric ;
Lorenzi, Stefano ;
Luzzi, Lelio ;
Cammi, Antonio .
ANNALS OF NUCLEAR ENERGY, 2019, 132 :227-235
[29]   MONTE-CARLO QUASICLASSICAL TRAJECTORY STUDY OF BR + HBR AND H + HBR - EFFECT OF REACTANT VIBRATION AND ROTATION ON REACTION-RATES AND ENERGY-TRANSFER [J].
WHITE, JM ;
THOMPSON, DL .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (02) :719-732
[30]   Rotation/Torsion Coupling in H5+, D5+, H4D+, and HD4+ Using Diffusion Monte Carlo [J].
Marlett, Melanie L. ;
Lin, Zhou ;
McCoy, Anne B. .
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 119 (35) :9405-9413