相关论文: One-Dimensional t-J Model from a Variational Viewp…
Understanding the real-time evolution of many-electron quantum systems is essential for studying dynamical properties in condensed matter, quantum chemistry, and complex materials, yet it poses a significant theoretical and computational…
We use classical Monte Carlo calculations to model the high-pressure behavior of the phase transition in the helical magnets. We vary values of the exchange interaction constant J and the Dzyaloshinskii-Moriya interaction constant D, which…
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…
To understand the mechanism of Mott transitions in case of no magnetic influence, superfluid-insulator (Mott) transitions in the S=0 Bose Hubbard model at unit filling are studied on the square and triangular lattices, using a 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…
Motivated by the recently observed pattern of unidirectional domains in high-T_c superconductors [Y. Kohsaka et al., Science 315, 1380 (2007)], we investigate the emergence of spontaneous modulations in the d-wave superconducting resonating…
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation energy of the paramagnetic three-dimensional homogeneous electron gas at intermediate to high density. Ground state energies in finite cells are…
Using Gutzwiller-projected wave functions, I estimate the ground-state energy of the t-J model for several variational states relevant for high-temperature cuprate superconductors. The results indicate antiferromagnetism and phase…
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…
We investigate how the fixed-node diffusion Monte Carlo energy of solids depends on single-particle orbitals used in Slater--Jastrow wave functions. We demonstrate that the dependence can be significant, in particular in the case of 3d…
To explore the nature of the metallic state near the transition to a Mott insulator we investigate the t-J model with random exchange interaction in d=infinity dimensions. A numerically exact solution is obtained by an extension of the…
We show, by using a correlated Jastrow wave function and a mapping onto a classical model, that the two-dimensional Mott transition in a simple half-filled one-band model can be unconventional and very similar to the binding-unbinding…
We study three wave function optimization methods based on energy minimization in a variational Monte Carlo framework: the Newton, linear and perturbative methods. In the Newton method, the parameter variations are calculated from the…
The Generalized Slater-Jastrow trial functional is a modification of the Slater-Jastrow functional where, effectively, the argument of the Jastrow factor can be momentum dependent. The associated Euler equations, which provide an…
We propose to compute physical properties by Monte Carlo calculations using conditional expectation values. The latter are obtained on top of the usual Monte Carlo sampling by partitioning the physical space in several subspaces or…
We study the dynamics of phase transitions in the one dimensional Bose-Hubbard model. To drive the system from Mott insulator to superfluid phase, we change the tunneling frequency at a finite rate. We investigate the build up of…
The discovery of high-temperature superconductivity (HTSC) in La$_3$Ni$_2$O$_7$ has aroused significant interest in exploring the pairing mechanism. Previous studies have proposed an effective d$_{x^2-y^2}$-orbital bilayer…
The phase diagram of the planar t--J model at small hole doping is investigated by finite size scaling of exact diagonalisation data of NXN clusters (up to 26). Hole-droplet binding energies, compressibility and static spin and charge…
Quantum Monte Carlo methods are accurate and promising many body techniques for electronic structure calculations which, in the last years, are encountering a growing interest thanks to their favorable scaling with the system size and their…
We develop a time-dependent variational Monte Carlo (t-VMC) method for quantum dynamics of strongly correlated electrons. The t-VMC method has been recently applied to bosonic systems and quantum spin systems. Here, we propose a…