scholarly journals First-principles modeling of three-body interactions in highly compressed solid helium

2015 ◽  
Vol 92 (22) ◽  
Author(s):  
Claudio Cazorla ◽  
Jordi Boronat
Keyword(s):  
First Principles ◽  
Solid Helium ◽  
Three Body

A three-body Gaussian model of solid helium

1984 ◽  
Vol 62 (7) ◽  
pp. 683-687 ◽  
Author(s):  
Douglas P. Locke
Keyword(s):  
Ground State ◽  
Reasonable Agreement ◽  
Particle Distribution ◽  
Solid Helium ◽  
Gaussian Model ◽  
Distribution Functions ◽  
Liquid Transition ◽  
Wide Range ◽  
Three Body ◽  
Ground State Energies

A simple, analytic set of three-body models is used to calculate ground state energies and single-particle distribution functions for solid 3He and 4He. Reasonable agreement with other models and experiments over a wide range of molar bolumes (10 cm3 to the liquid transition) is demonstrated.

scholarly journals Predictions for water clusters from a first-principles two- and three-body force field

2014 ◽  
Vol 140 (19) ◽  
pp. 194101 ◽  
Author(s):  
Urszula Góra ◽  
Wojciech Cencek ◽  
Rafał Podeszwa ◽  
Ad van der Avoird ◽  
Krzysztof Szalewicz
Keyword(s):  
Force Field ◽  
First Principles ◽  
Body Force ◽  
Water Clusters ◽  
Three Body

Three-Body Interactions in Liquid and Solid Helium

1971 ◽  
Vol 3 (3) ◽  
pp. 1037-1040 ◽  
Author(s):  
R. D. Murphy ◽  
J. A. Barker
Keyword(s):  
Solid Helium ◽  
Three Body

Transferability of first principles derived torsional potentials for mesogenic molecules and fragments

1998 ◽  
Vol 93 (6) ◽  
pp. 947-954 ◽  
Author(s):  
C.J. ADAM ◽  
S.J. CLARK ◽  
M.R. WILSON ◽  
G.J. ACKLAND ◽  
J. CRAIN
Keyword(s):  
First Principles ◽  
Torsional Potentials

A first-principles Hartree-Fock description of MnO at high pressures

1998 ◽  
Vol 77 (4) ◽  
pp. 1063-1075
Author(s):  
W. C. Mackrodt, E.-A. Williamson, D. W
Keyword(s):  
First Principles ◽  
High Pressures ◽  
Hartree Fock

Review of From First Principles: An Experiment on Ageing.

1997 ◽  
Vol 42 (2) ◽  
pp. 173-174
Author(s):  
Terri Gullickson
Keyword(s):  
First Principles
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