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arXiv:cond-mat/0505661 · Journal of Physics Condensed Matter

The stochastic state selection method combined with the Lanczos approach to eigenvalues in quantum spin systems

Tomo Munehisa, Yasuko Munehisa

Published Feb 3, 2006• 5 citations
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Abstract

We describe a further development of the stochastic state selection method, a new Monte Carlo method we have proposed recently to make numerical calculations in large quantum spin systems. Making recursive use of the stochastic state selection technique in the Lanczos approach, we estimate the ground state energy of the spin-1/2 quantum Heisenberg antiferromagnet on a 48-site triangular lattice. Our result for the upper bound of the ground state energy is -0.1833 +/- 0.0003 per bond. This value, being compatible with values from other work, indicates that our method is efficient in calculating energy eigenvalues of frustrated quantum spin systems on large lattices.

DOI
10.1088/0953-8984/18/7/018

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World Journal of Condensed Matter Physics•Jan 1, 2017•3 citations
We describe a further development of the stochastic state selection method, a new Monte Carlo method we have proposed recently to make numerical calculations in large quantum spin systems. Making recursive use of the stochastic state selection technique in the Lanczos approach, we estimate the ground state energy of the spin-1/2 quantum Heisenberg antiferromagnet on a 48-site triangular lattice. Our result for the upper bound of the ground state energy is -0.1833 +/- 0.0003 per bond. This value, being compatible with values from other work, indicates that our method is efficient in calculating energy eigenvalues of frustrated quantum spin systems on large lattices.
We describe a further development of the stochastic state selection method, a new Monte Carlo method we have proposed recently to make numerical calculations in large quantum spin systems. Making recursive use of the stochastic state selection technique in the Lanczos approach, we estimate the ground state energy of the spin-1/2 quantum Heisenberg antiferromagnet on a 48-site triangular lattice. Our result for the upper bound of the ground state energy is −0.1833 ± 0.0003 per bond. This value, being compatible with values from other work, indicates that our method is efficient in calculating energy eigenvalues of frustrated quantum spin systems on large lattices. PACS number: 05.10.Ln, 02.70.Ss, 75.10.Jm 1
In this paper we propose the recursive stochastic state selection method, an extension of the recently developed stochastic state selection method in Monte Carlo calculations for quantum spin systems. In this recursive method we use intermediate states to define probability functions for stochastic state selections. Then we can diminish variances of samplings when we calculate expectation values of the powers of the Hamiltonian. In order to show the improvement we perform numerical calculations of the spin-1/2 anti-ferromagnetic Heisenberg model on the triangular lattice. Examining results on the ground state of the 21-site system we confide this method in its effectiveness. We also calculate the lowest and the excited energy eigenvalues as well as the static structure factor for the 36-site system. The maximum number of basis states kept in a computer memory for this system is about 3.6 x 10**7. Employing a translationally invariant initial trial state, we evaluate the lowest energy eigenvalue within 0.5 % of the statistical errors.
We describe a further development of the stochastic state selection method, which is a kind of Monte Carlo method we have proposed in order to numerically study large quantum spin systems. In the stochastic state selection method we make a sampling which is simultaneous for many states. This feature enables us to modify the method so that a number of given constraints are satisfied in each sampling. In this paper we discuss this modified stochastic state selection method that will be called the constrained stochastic state selection method in distinction from the previously proposed one (the conventional stochastic state selection method) in this paper. We argue that, by virtue of the constrained sampling, some quantities obtained in each sampling become more reliable, i.e. their statistical fluctuations are less than those from the conventional stochastic state selection method. In numerical calculations of the spin- 1/2 quantum Heisenberg antiferromagnet on a 36-site triangular lattice we explicitly show that data errors in our estimation of the ground state energy are reduced. Then we successfully evaluate several low-lying energy eigenvalues of the model on a 48-site lattice. Our results support that this system can be described by the theory based on the spontaneous symmetry breaking in the semiclassical Néel ordered antiferromagnet.
We apply the recursive stochastic state selection method, which is a new method for Monte Carlo study we have recently developed, to quantum spin systems with positive definite Hamiltonians. Through numerical studies of two-dimensional J1-J2 Heisenberg model on a square lattice with unfrustrated couplings J1=1 and J2=-1 and with non-frustrated ones J1=1 and J2=0, we find that a kind of equilibrium is realized in these systems. We also observe that in this equilibrium we can obtain a quite accurate estimate of the energy eigenvalue for the system's ground state. Statistical relative errors in our results are 0.03% for the 36-site unfrustrated model and 0.06% for the 64-site non-frustrated model.
We develop a new method to calculate eigenvalues in frustrated quantum spin models. It is based on the stochastic state selection (SSS) method, which is an unconventional Monte Carlo technique that we have investigated in recent years. We observe that a kind of equilibrium is realized under some conditions when we repeatedly operate a Hamiltonian and a random choice operator, which is defined by stochastic variables in the SSS method, to a trial state. In this equilibrium, which we call the SSS equilibrium, we can evaluate the lowest eigenvalue of the Hamiltonian using the statistical average of the normalization factor of the generated state. The SSS equilibrium itself has already been observed in unfrustrated models. Our study in this paper shows that we can also see the equilibrium in frustrated models, with some restriction on values of a parameter introduced in the SSS method. As a concrete example, we employ the spin-1/2 frustrated J 1 – J 2 Heisenberg model on the square lattice. We present numerical results on the 20-, 32-, and 36-site systems, which demonstrate that statistical averages of the normalization factors reproduce the known exact eigenvalue to good precision. Finally, we apply the method to the 40-site system. Then we obtain the value of the lowest energy eigenvalue with an error of less than 0.2%.
We propose an improved finite temperature Lanczos method using the stochastic state selection method. In the finite temperature Lanczos method, we generate Lanczos states and calculate the eigenvalues. In addition we have to calculate matrix elements that are the values of an operator between two Lanczos states. In the calculations of the matrix elements we have to keep the set of Lanczos states on the computer memory. Therefore the memory limits the system size in the calculations. Here we propose an application of the stochastic state selection method in order to weaken this limitation. This method is to select some parts of basis states stochastically and to abandon other basis state. Only by the selected basis states we calculate the inner product. After making the statistical average, we can obtain the correct value of the inner product. By the stochastic state selection method we can reduce the number of the basis states for calculations. As a result we can relax the limitation on the computer memory. In order to study the Higgs mode at finite temperature, we calculate the dynamical correlations of the two spin operators in the spin-1/2 Heisenberg antiferromagnet on the square lattice using the improved finite temperature Lanczos method. Our results on the lattices of up to 32 sites show that the Higgs mode exists at low temperature and it disappears gradually when the temperature becomes large. At high temperature we do not find this mode in the dynamical correlations.