scholarly journals The fitting of three-body potential energy of solid argon

2021 ◽  
Vol 1906 (1) ◽  
pp. 012011
Author(s):  
Xingrong Zheng ◽  
Li Su ◽  
Kaiqiang Xie ◽  
Jingtong Chen ◽  
Yujie Li
Keyword(s):  
Potential Energy ◽  
Three Body ◽  
Body Potential ◽  
Solid Argon

EMPIRICAL MANY-BODY POTENTIAL ENERGY FUNCTION CALCULATION FOR LITHIUM CLUSTERS IN BCC AND FCC SURFACE SYMMETRIES, AND CHEMISORPTION ENERGY OF ATOMIC OXYGEN ON LITHIUM BCC CLUSTERS

1995 ◽  
Vol 10 (02) ◽  
pp. 125-131 ◽  
Author(s):  
NURI KOLSUZ ◽  
MEHMET ÇIVI ◽  
ŞAKIR ERKOÇ
Keyword(s):  
Potential Energy ◽  
Energy Function ◽  
Potential Energy Function ◽  
Many Body ◽  
Atomic Interactions ◽  
Function Calculation ◽  
Three Body ◽  
Body Potential ◽  
Lithium Clusters ◽  
Chemisorption Energy

We have investigated the structure and energetics of lithium clusters containing 3 to 10 atoms in different bcc and fcc surface symmetries, and the interaction of an oxygen atom with lithium clusters in the bcc(100) and bcc(110) surface symmetries. Calculations have been performed by using an empirical many-body potential energy function, which comprises two- and three-body atomic interactions.

Three-body potential energy terms for methane trimers

1981 ◽  
Vol 19 (4) ◽  
pp. 637-648 ◽  
Author(s):  
O. Novaro ◽  
S. Castillo ◽  
W. Ko?os ◽  
A. Le?
Keyword(s):  
Potential Energy ◽  
Three Body ◽  
Body Potential

ENERGETICS OF ARSENIC TERMINATED GaAs(001) SURFACES

2000 ◽  
Vol 11 (06) ◽  
pp. 1225-1237 ◽  
Author(s):  
ŞAKIR ERKOÇ ◽  
HATICE KÖKTEN
Keyword(s):  
Potential Energy ◽  
Energy Function ◽  
Potential Energy Function ◽  
Many Body ◽  
Surface Energies ◽  
Atomic Interactions ◽  
Surface Models ◽  
Three Body ◽  
Body Potential

We have investigated systematically the energetics of arsenic terminated GaAs(001) surfaces. Available surface models proposed in the literature have been considered, and relaxation and surface energies of each model have been calculated using an empirical many-body potential energy function comprising two and three-body atomic interactions.

Empirical many-body potential energy functions for iron

1993 ◽  
Vol 97 (46) ◽  
pp. 12073-12082 ◽  
Author(s):  
Fei Gao ◽  
Roy L. Johnston ◽  
John N. Murrell
Keyword(s):  
Potential Energy ◽  
Many Body ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Body Potential

Ab Initio Calculation of a Three-Body Potential To Be Applied in Simulations of Fluid Neon

1998 ◽  
Vol 4 (3) ◽  
pp. 377-382 ◽  
Author(s):  
Elena Ermakova ◽  
Jan Solca ◽  
Gerold Steinebrunner ◽  
Hanspeter Huber
Keyword(s):  
Ab Initio ◽  
Ab Initio Calculation ◽  
Three Body ◽  
Body Potential
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