Related papers: Monte-Carlo wavefunction approach for the spin dyn…
We consider Majorana fermions (MFs) in quasi-one-dimensional nanowire systems containing normal and superconducting sections where the topological phase based on Rashba spin orbit interaction can be tuned by magnetic fields. We derive…
Accurate prediction of muon hyperfine constants is useful for interpreting muon spin spectroscopy data, yet standard methods such as density functional theory (DFT) compute muon-electron pair density functions, and thus hyperfine constants,…
An $\mathit{ab\ initio}$ theory is devised for the quantum dynamics of molecules undergoing (multiple) ionization in ultrafast and intense light. Specifically, the intertwined problem of photoionization, radiative, and electronic…
We propose using the wave function generated by the quantum selected configuration interaction (QSCI) method as the trial wave function in phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC). In the QSCI framework, electronic…
The conventional tensor-network states employ real-space product states as reference wave functions. Here, we propose a many-variable variational Monte Carlo (mVMC) method combined with tensor networks by taking advantages of both to study…
UKQCD's dynamical fermion project uses the Generalised Hybrid Monte-Carlo (GHMC) algorithm to generate QCD gauge configurations for a non-perturbatively O(a) improved Wilson action with two degenerate sea-quark flavours. We describe our…
Wave-function Monte Carlo methods are an important tool for simulating quantum systems, but the standard method cannot be used to simulate decoherence in continuously measured systems. Here we present a new Monte Carlo method for such…
We describe a new Hybrid Monte Carlo (HMC) algorithm for dynamical overlap fermions, which improves the rate of topological index changes by adding an additional (intensive) term to the action for the molecular dynamics part of the…
Random batch algorithms are constructed for quantum Monte Carlo simulations. The main objective is to alleviate the computational cost associated with the calculations of two-body interactions, including the pairwise interactions in the…
We use a convolutional restricted Boltzmann machine (CRBM) neural network to construct a variational wave function (WF) for the Hubbard model on a square lattice and study it using the variational Monte Carlo (VMC) method. In the wave…
Considering the recent advances, the weak correlation between the massive Kalb-Ramond and the Proca interacting models is investigated by means of a set of complementary quantum field techniques beyond the semi-classical approach. A…
We propose a Monte Carlo method, which is a hybrid method of the quantum Monte Carlo method and variational Monte Carlo theory, to study the Hubbard model. The theory is based on the off-diagonal and the Gutzwiller type correlation factors…
An algorithm for separating the high- and low-frequency molecular dynamics modes in Hybrid Monte Carlo simulations of gauge theories with dynamical fermions is presented. The separation is based on splitting the pseudo-fermion action into…
We develop a hierarchical functional derivative method to investigate the reduced dynamics of a quantum dissipative system within the framework of a stochastic decoupling description. Keeping only the lowest order truncation of the…
A new Monte Carlo method is proposed for fermion systems interacting with classical degrees of freedom. To obtain a weight for each Monte Carlo sample with a fixed configuration of classical variables, the moment expansion of the density of…
We describe the implementation of the frozen-orbital and downfolding approximations in the auxiliary-field quantum Monte Carlo (AFQMC) method. These approaches can provide significant computational savings compared to fully correlating all…
The development of multireference coupled cluster (MRCC) techniques has remained an open area of study in electronic structure theory for decades due to the inherent complexity of expressing a multi-configurational wavefunction in the…
We generalize the Schrieffer-Wolff transformation to periodically driven systems using Floquet theory. The method is applied to the periodically driven, strongly interacting Fermi-Hubbard model, for which we identify two regimes resulting…
The radical-pair mechanism is understood to underlie the magnetic navigation capability of birds and possibly other species. Experiments with birds have provided indirect and in cases conflicting evidence on the actual existence of this…
Accurately describing strongly correlated electrons in systems such as transition metal complexes requires strict adherence to spin symmetry, a feature largely absent in modern neural-network-based variational wavefunctions. This deficiency…