June 27- July 1, 2005 Trieste, Italy. Numerical study on ESR of V15. IIS, U. Tokyo, Manabu Machida RIKEN, Toshiaki Iitaka Dept. of Phys., Seiji Miyashita. Nanoscale molecular magnet V15. [A. Mueller and J. Doering (1988)]. Vanadiums provide fifteen 1/2 spins.
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IIS, U. Tokyo, Manabu Machida
RIKEN, Toshiaki Iitaka
Dept. of Phys., Seiji Miyashita
[A. Mueller and J. Doering (1988)]
fifteen 1/2 spins.
[H. De Raedt, et al., PRB 70 (2004) 064401]
[M. Machida, et al., JPSJ (2005) suppl.]
– Direct diagonalization requires memory of
– Its computation time is of
(e.g. S. Miyashita et al. (1999))
-speed and memory ofO(N)
- all states and all temperatures
- ESR at low temperatures.
Typical calculation time for one absorption curve is about half a day.
The DCEM =
a slight modification of
the Boltzmann-weighted time-dependent method
[T. Iitaka and T. Ebisuzaki, PRL (2003)]
Making use of
the random vector technique and
the Chebyshev polynomial expansion
Random phase vector
Chebyshev expansions of
the thermal and time-evolution operators.
[Y.Ajiro et al. (2003)]
the lowest eight levels.
At zero temperature
O(N) algorithms for the Kubo formula
■ Random vector and Chebyshev polynomials
ESR of V15
■ High to low temperatures by DCEM
■Ultra-cold temperature by SIM
■ Triangle model analysis
M. Machida, T. Iitaka, and S. Miyashita, JPSJ (2005) suppl.