Ionicity in disordered GeSe2: A comparison of first-principles and atomistic potential models

2008 ◽  
Vol 128 (24) ◽  
pp. 244505 ◽  
Author(s):  
Mark Wilson ◽  
Bevan K. Sharma ◽  
Carlo Massobrio
Keyword(s):  
First Principles ◽  
Potential Models

Interaction potential models for bulk Zns, Zns nanoparticle, and Zns nanoparticle-PMMA from first-principles

2015 ◽  
Vol 36 (15) ◽  
pp. 1176-1186 ◽  
Author(s):  
Sadanandam Namsani ◽  
Nisanth N. Nair ◽  
Jayant K. Singh
Keyword(s):  
Interaction Potential ◽  
First Principles ◽  
Potential Models

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

Semi-relativistic quark-antiquark potential models

1985 ◽  
Vol 10 (5) ◽  
pp. 475-522 ◽  
Author(s):  
J.L. Basdevant ◽  
S. Boukraa
Keyword(s):  
Potential Models

FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

1981 ◽  
Vol 42 (C6) ◽  
pp. C6-625-C6-627 ◽  
Author(s):  
P. E. Van Camp ◽  
V. E. Van Doren ◽  
J. T. Devreese
Keyword(s):  
First Principles ◽  
First Principles Calculation ◽  
Phonon Spectra
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