Symmetrized PQMC Studies of the ground state of $C_{60}$

Details Symmetrized PQMC Studies of the ground state of $C_{60}$ Symmetrized PQMC Studies of the ground state of $C_{60}$

1996-05-21

arxiv.org/abs/cond-mat/9605136v1

Physics

Condensed Matter

36 pages, 9 figures available on request, to appear in Phys. Rev. B

Scientific paper

We develop a new $\it {symmetrized}$ version of the Projector Quantum Monte Carlo (SPQMC) method which preserves the symmetries of the system by simultaneously sampling all symmetry related Ising configurations at each MC step and use it to study the effect of electron correlations on a single $C_{60}$ molecule and its structural motifs, within the Hubbard model. The SPQMC method allows more accurate estimates of correlation functions as seen from calculations on small systems. We study the ground state properties of a single fullerene molecule, with and without bond alternation. We construct projections of the bond orders and spin-spin correlation functions on the space of irreducible representations of the icosahedral point group. These projections, analogous to the structure factors of translationally invariant systems, give the amplitudes for distortions which transform as the irreducible representations of the point group. The amplitude for the $H_{g}$ distortion is the largest while the spin structure has large weights in the $T_{2g}$ and $G_{u}$ representations.

Affiliated with

Also associated with

No associations

Rating

Symmetrized PQMC Studies of the ground state of $C_{60}$ does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Symmetrized PQMC Studies of the ground state of $C_{60}$, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Symmetrized PQMC Studies of the ground state of $C_{60}$ will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-315264