Related papers: Capturing spin fluctuations in CaCuO$_2$: $\textit…
In view of the continuous theoretical efforts aimed at an accurate microscopic description of the strongly correlated transition metal oxides and related materials, we show that with continuum quantum Monte Carlo (QMC) calculations it is…
Quantum Monte Carlo (QMC) methods such as variational Monte Carlo and fixed node diffusion Monte Carlo depend heavily on the quality of the trial wave function. Although Slater-Jastrow wave functions are the most commonly used variational…
We revisit the accuracy of the variational Monte Carlo (VMC) method by taking an example of ground state properties for the one-dimensional Hubbard model. We start from the variational wave functions with the Gutzwiller and long-range…
The accuracy and efficiency of ab-initio quantum Monte Carlo (QMC) algorithms benefits greatly from compact variational trial wave functions that accurately reproduce ground state properties of a system. We investigate the possibility of…
We study the spin dynamics in underdoped cuprates at low temperatures by considering them as quasi two dimensional d-wave superconductors (dSC) with strong phase fluctuations. An effective theory of spin degrees of freedom of nodal…
The author reports on new high-fidelity simulations of charge carriers in the high-T$_c$ cuprate materials using quantum Monte Carlo techniques applied to the first principles Hamiltonian. With this high accuracy technique, the doped ground…
The in-plane infrared response of the high-Tc cuprate superconductors was studied using the spin-fermion model, where charged quasiparticles of the copper-oxygen planes are coupled to spin fluctuations. First, we analyzed structures of the…
Upon doping, Mott insulators often exhibit symmetry breaking where charge carriers and their spins organize into patterns known as stripes. For high-Tc superconducting cuprates, stripes are widely suspected to exist in a fluctuating form.…
A quantum Monte Carlo method is presented for determining multi-determinantal Jastrow-Slater wave functions for which the energy is stationary with respect to the simultaneous optimization of orbitals and configuration interaction…
Correlation effects in CuO$_2$ layers give rise to a complicated landscape of collective excitations in high-T$_{\rm c}$ cuprates. Their description requires an accurate account for electronic fluctuations at a very broad energy range and…
We consider the extended 2D $t-t'-t''-J$ model at zero temperature. Parameters of the model corresponds to doping by holes. Using the low doping effective action we demonstrate that the system can 1) preserve the long range collinear…
Understanding how quasiparticles are generated following a rapid quench of superconductivity in high-Tc cuprates is a key unresolved problem in nonequilibrium superconductivity. Here we resolve these processes in optimally doped YBCO…
A method is developed that allows analysis of quantum Monte Carlo simulations to identify errors in trial wave functions. The purpose of this method is to allow for the systematic improvement of variational wave functions by identifying…
Feedback effects due to spin fluctuation induced precursors in the fermionic quasiparticle spectrum are taken into account in the description of a quantum critical point of itinerant spin systems. A correlation length dependent spin damping…
Diffusion quantum Monte Carlo calculations with partial and full optimization of the guide function are carried out for the dissociation of the FeS molecule. For the first time, quantum Monte Carlo orbital optimization for transition metal…
In the framework of the generalized tight binding method we have calculated the quasiparticle band structure and the spectral functions of the undoped cuprates like $La_2 CuO_4$, $Sr_2CuO_2Cl_2$ etc. Due to spin fluctuations the in-gap…
Compact and accurate wave functions can be constructed by quantum Monte Carlo methods. Typically, these wave functions consist of a sum of a small number of Slater determinants multiplied by a Jastrow factor. In this paper we study the…
We report on a simple calculation of the magnetotransport in cuprate superconductors, based on the nearly antiferromagnetic Fermi liquid (spin fluctuation) model. We find that the model explains all important features seen experimentally:…
By means of resonant inelastic x-ray scattering at the Cu L$_3$ edge, we measured the spin wave dispersion along $\langle$100$\rangle$ and $\langle$110$\rangle$ in the undoped cuprate Ca$_2$CuO$_2$Cl$_2$. The data yields a reliable estimate…
We show that a variety of spectral features in high-T_c cuprates can be understood from the coupling of charge carriers to some kind of dynamical order which we exemplify in terms of fluctuating charge and spin density waves. Two…