相关论文: Capturing spin fluctuations in CaCuO$_2$: $\textit…
Quantum Monte Carlo (QMC) simulations are performed to study ground-state properties of a mixed spin-1 and spin-1/2 Lieb-lattice Heisenberg antiferromagnet, in order to get further insight beyond the modified spin-wave (MSW) study reported…
We extend Quantum Computing Quantum Monte Carlo (QCQMC) beyond ground-state energy estimation by systematically constructing the quantum circuits used for state preparation. Replacing the original Variational Quantum Eigensolver (VQE)…
Normal and superconducting state spectral properties of cuprates are theoretically described within the extended t-J model. The method is based on the equations of motion for projected fermionic operators and the mode-coupling approximation…
Using Resonant Inelastic X-ray Scattering, we measure the paramagnon dispersion and damping of undoped, antiferromagnetic Ca$_2$CuO$_2$Cl$_2$ as well as doped, superconducting Na$_{x}$Ca$_{2-x}$CuO$_2$Cl$_2$. Our estimation of the…
We describe and discuss a recently proposed quantum Monte Carlo algorithm to compute the ground-state properties of various systems of interacting fermions. In this method, the ground state is projected from an initial wave function by a…
A spin-fermion model that captures the charge-transfer properties of Cu-based high critical temperature superconductors is introduced and studied via Monte Carlo simulations. The strong Coulomb repulsion among $d$-electrons in the Cu…
We discuss static fluctuations of the d-wave superconducting order parameter $\Delta$ in CuO$_2$ planes, due to quasiparticle scattering by charged dopants. The analysis of two-particle anomalous Green functions at $T = 0$ permits to…
In this note, variational Monte Carlo method based on neural quantum states for spin systems is reviewed. Using a neural network as the wave function allows for a more generalized expression of various types of interactions, including…
We report 75As-nuclear quadrupole resonance (NQR) studies on (Ca_4Al_2O_{6-y})(Fe_2As_2) with Tc=27K, which unravel unique normal-state properties and point to unconventional nodeless superconductivity (SC). Measurement of…
A paramount goal in the field of nuclear physics is to unify ab-initio treatments of bound and unbound states. The position-space quantum Monte Carlo (QMC) methods have a long history of successful bound state calculations in light systems…
The letter deals with the spin-freezing process observed by means of NMR-NQR relaxation or by muon spin rotation in underdoped cuprate superconductors. This phenomenon, sometimes referred as coexistence of antiferromagnetic and…
We numerically analyze superconductivity (SC) in the cuprate superconductors by using ab initio effective Hamiltonians consisting of the antibonding combination of Cu $3d_{x^2-y^2}$ and O $2p_{\sigma}$ orbitals. We perform variational Monte…
We present a systematic analysis on the basis of ab initio calculations and many-body perturbation theory for clarifying the dominant fluctuation in complex charge-spin-orbital coupled systems. For a tight-binding multiband model obtained…
In conventional, phonon-mediated superconductors, the transition temperature $T_c$ and normal-state scattering rate $1/\tau$ - deduced from the linear-in-temperature resistivity $\rho(T)$ - are linked through the electron-phonon coupling…
Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…
We present and motivate an efficient way to include orbital dependent many--body correlations in trial wave function of real--space Quantum Monte Carlo methods for use in electronic structure calculations. We apply our new…
Quantum Monte Carlo (QMC) algorithms have long relied on Jastrow factors to incorporate dynamic correlation into trial wave functions. While Jastrow-type wave functions have been widely employed in real-space algorithms, they have seen…
We report all-electron and pseudopotential calculations of the ground-stateenergies of the neutral Ne atom and the Ne+ ion using the variational and diffusion quantum Monte Carlo (DMC) methods. We investigate different levels of…
We propose an accurate variational Monte Carlo method applicable in the presence of the strong spin-orbit interaction. Our variational wave functions consist of generalized Pfaffian-Slater wave functions that involve mixtures of singlet and…
Neutron scattering can provide detailed information about the energy and momentum dependence of the magnetic dynamics of materials provided sufficiently large single crystals are available. This requirement has limited the number of rare…