No fitting parameters, just length and strength (total LJ load)
Is it competitive?
LJ lines
6 LJ sites
Gay-Berne
end-to-end
0.858e-04
0.216e-04
0.172e-05
tee
0.412e-04
0.216e-04
0.119e-05
Computing times (seconds) per pair interaction
(Pentium M CPU; 1.7 GHz; F77 compiler.)
"tee": $\rho=0$;
end-to-end: $\rho \rightarrow 1$
Should be approached by many-site model:
Comparison of LJL and multisite potentials
with $9 \dots 72$ LJ sites:
"tee" configuration; $L=4$
Comparison with 4LJ (= standard used to gauge Gay-Berne):
Comparison of LJL and 4LJ multisite models for
selected configurations.
Left ... side-by-side;
middle ... tee; right ... end-to-end;
full lines ... LJL; dotted ... 4LJ
OUTLOOK
Eq. of state by MC, for various lengths
Demixing, possibly smectic layering (see Lukac)
Molecular dynamics? - Force is manageable,
torque still under way
Theory: Good ideas for defining reference and
pertubative potentials needed. (Don't divide
the elementary LJ interaction!)
"Don't try - do, or do not!"