Quantum Monte Carlo diagonalization for many-fermion systems

In this study we present an optimization method based on the quantum Monte Carlo diagonalization for many-fermion systems. Using the Hubbard-Stratonovich transformation, employed to decompose the interactions in terms of auxiliary fields, we expand the true ground-state wave function. The ground-state wave function is written as a linear combination of the basis wave functions. The Hamiltonian is diagonalized to obtain the lowest energy state, using the variational principle within the selected subspace of the basis functions. This method is free from the difficulty known as the negative sign problem. We can optimize a wave function using two procedures. The first procedure is to increase the number of basis functions. The second improves each basis function through the operators, $e^{-\Delta\tau H}$, using the Hubbard-Stratonovich decomposition. We present an algorithm for the Quantum Monte Carlo diagonalization method using a genetic algorithm and the renormalization method. We compute the ground-state energy and correlation functions of small clusters to compare with available data

Ground state of the three-band Hubbard model

The ground state of the two-dimensional three-band Hubbard model in oxide superconductors is investigated by using the variational Monte Carlo method. The Gutzwiller-projected BCS and spin- density wave (SDW) functions are employed in the search for a possible ground state with respect to dependences on electron density. Antiferromagnetic correlations are considerably enhanced near half-filling. It is shown that the d-wave state may exist away from half-filling for both the hole and electron doping cases. The overall structure of the phase diagram obtained by the calculations qualitatively agrees with experimental indications. The superconducting condensation energy is in reasonable agreement with the experimental value obtained from specific heat and critical magnetic field measurements for optimally doped samples. The inhomogeneous SDW state is also examined near 1/8-hole doping.Comment: 10 pages, 17 figure

Possible high TcT_c superconductivity mediated by antiferromagnetic spin fluctuations in systems with Fermi surface pockets

We propose that if there are two small pocket-like Fermi surfaces, and the spin susceptibility is pronounced around a wave vector {\bf Q} that bridges the two pockets, the spin-singlet superconductivity mediated by spin fluctuations may have a high transition temperature. Using the fluctuation exchange approximation, this idea is confirmed for the Hubbard on a lattice with alternating hopping integrals, for which $T_c$ is estimated to be almost an order of magnitude larger than those for systems with a large connected Fermi surface.Comment: 5 pages, uses RevTe

Nuclear fission: The "onset of dissipation" from a microscopic point of view

Semi-analytical expressions are suggested for the temperature dependence of those combinations of transport coefficients which govern the fission process. This is based on experience with numerical calculations within the linear response approach and the locally harmonic approximation. A reduced version of the latter is seen to comply with Kramers' simplified picture of fission. It is argued that for variable inertia his formula has to be generalized, as already required by the need that for overdamped motion the inertia must not appear at all. This situation may already occur above T=2 MeV, where the rate is determined by the Smoluchowski equation. Consequently, comparison with experimental results do not give information on the effective damping rate, as often claimed, but on a special combination of local stiffnesses and the friction coefficient calculated at the barrier.Comment: 31 pages, LaTex, 9 postscript figures; final, more concise version, accepted for publication in PRC, with new arguments about the T-dependence of the inertia; e-mail: [email protected]

Superconductivity in the three-leg Hubbard ladder: a Quantum Monte Carlo study

Quantum Monte Carlo method is used to look into the superconductivity in the three-leg Hubbard ladder. The enhanced correlation for the pairing across the central and edge chains, which has been predicted in the weak-coupling renormalization as an effect of coexistence of gapful and gapless spin modes, is here shown to persist for intermediate interaction strengths.Comment: 10 pages, RevTeX, 3 figures in PostScript file

Fermi arc in doped high-Tc cuprates

We propose a $d$-density wave induced by the spin-orbit coupling in the CuO plane. The spectral function of high-temperature superconductors in the under doped and lightly doped regions is calculated in order to explain the Fermi arc spectra observed recently by angle-resolved photoemission spectroscopy. We take into account the tilting of CuO octahedra as well as the on-site Coulombrepulsive interaction; the tilted octahedra induce the staggered transfer integral between $p_{x,y}$ orbitals and Cu $t_{2g}$ orbitals, and bring about nontrivial effects of spin-orbit coupling for the $d$ electrons in the CuO plane. The spectral weight shows a peak at around ($\pi/2$,$\pi/2$) for light doping and extends around this point forming an arc as the carrier density increases, where the spectra for light doping grow continuously to be the spectra in the optimally doped region. This behavior significantly agrees with that of the angle-resolved photoemissionspectroscopy spectra. Furthermore, the spin-orbit term and staggered transfer effectively induce a flux state, a pseudo-gap with time-reversal symmetry breaking. We have a nodal metallic state in the light-doping case since the pseudogap has a $d_{x^2-y^2}$ symmetry.Comment: 5 pages, 7 figure

Quantum Monte Carlo study of the pairing correlation in the Hubbard ladder

An extensive Quantum Monte Carlo calculation is performed for the two-leg Hubbard ladder model to clarify whether the singlet pairing correlation decays slowly, which is predicted from the weak-coupling theory but controversial from numerical studies. Our result suggests that the discreteness of energy levels in finite systems affects the correlation enormously, where the enhanced pairing correlation is indeed detected if we make the energy levels of the bonding and anti-bonding bands lie close to each other at the Fermi level to mimic the thermodynamic limit.Comment: 10 pages, RevTeX, 5 figures in PostScript file

Persistent current of two-chain Hubbard model with impurities

The interplay between impurities and interactions is studied in the gapless phase of two-chain Hubbard model in order to see how the screening of impurity potentials due to repulsive interactions in single-chain model will be changed by increasing the number of channels. Renormalization group calculations show that charge stiffness, and hence persistent current, of the two-chain model are less enhanced by interactions than single chain case.Comment: 4 Pages, RevTeX, No figures, Submitted to PR