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World Journal of Condensed Matter Physics

Finite Temperature Lanczos Method with the Stochastic State Selection and Its Application to Study of the Higgs Mode in the Antiferromagnet at Finite Temperature

Tomo Munehisa

Published Jan 1, 2017• 3 citations
Publisher

Abstract

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.

DOI
10.4236/wjcmp.2017.71002

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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.
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
The Higgs mode is expected to exist in any system with the spontaneous symmetry breaking of the continuous symmetry. We make numerical study about the Higgs mode in the Heisenberg antiferromagnet on the square lattice by the exact diagonalisation approach. Since the Higgs mode can couple with a pair of the Nambu-Goldstone modes, we calculate the dynamical correlation of the two spin operators, employing the finite temperature Lanczos method. Because the lattice size is severely limited, we make a careful discussion on procedures of finding evidences for the Higgs mode by numerical works. By the discussed procedures, we present numerical results for the dynamical correlation at zero temperature. Then we obtain clear evidences for the Higgs mode of the spin-1/2 Heisenberg antiferromagnet on the square lattice.
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 present an improvement of the finite temperature Lanczos method in order to apply this method to systems at very low temperature. One proposal is to introduce two steps in this method. In the first step, we use the Chebyshev polynomial expansion to calculate exp(-H/T1) random vector> at moderate temperature T1. In the second step, we apply the ordinary finite temperature Lanczos method using the calculated state as the initial state of the Lanczos method. Another proposal is to employ a sampling method for selecting a random vector. By this sampling, we can improve an efficiency of calculations. Using the improved finite temperature Lanczos method, we calculate the specific heat of the spin-1/2 Heisenberg model on the kagome lattices of 27 and 30 sites.
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.
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.