Related papers: Monte-Carlo wavefunction approach for the spin dyn…
In order to alleviate the computational costs of fully quantum nonadiabatic dynamics, we present a mixed quantum-classical (MQC) particle method based on the theory of Koopman wavefunctions. Although conventional MQC models often suffer…
The development and use of Monte Carlo algorithms plays a visible role in the study of non-Markovian quantum dynamics due to the provided insight and powerful numerical methods for solving the system dynamics. In the Markovian case, the…
We describe a controllable and unbiased strong-coupling diagrammatic Monte Carlo technique that is applicable to a wide range of fermionic systems and spin models. Unlike previous strong coupling methods that generally rely on the…
Upon revisiting the Hamiltonian structure of classical wavefunctions in Koopman-von Neumann theory, this paper addresses the long-standing problem of formulating a dynamical theory of classical-quantum coupling. The proposed model not only…
I study the quantum mechanics of a spin interacting with an ``apparatus''. Although the evolution of the whole system is unitary, the spin evolution is not. The system is chosen so that the spin exhibits loss of quantum coherence, or…
A novel class of non-reversible Markov chain Monte Carlo schemes relying on continuous-time piecewise-deterministic Markov Processes has recently emerged. In these algorithms, the state of the Markov process evolves according to a…
Various mechanisms have been put forward for cuprate superconductivity, which fit largely into two camps: spin-fluctuation and electron-phonon (el-ph) mechanisms. However, in spite of a large effort, electron-phonon interactions are not…
Non-reciprocal systems have been shown to sustain time-dependent patterns, most prominently travelling waves. The transition into these time-dependent states generally breaks time-translational invariance, representing a clear deviation…
Radical-ion pairs and their reactions have triggered the study of quantum effects in biological systems. This is because they exhibit a number of effects best understood within quantum information science, and at the same time are central…
We develop generalization of the fixed-phase diffusion Monte Carlo method for Hamiltonians which explicitly depend on particle spins such as for spin-orbit interactions. The method is formulated in zero variance manner and is similar to…
Interacting spin systems are of fundamental relevance in different areas of physics, as well as in quantum information science, and biology. These spin models represent the simplest, yet not fully understood, manifestation of quantum…
Magnetic field effects (MFE) in certain chemical reactions have been well established in the last five decades and are attributed to the evolution of transient radical-pairs whose spin dynamics are determined by local and external magnetic…
We analyze a non-Markovian mean field interacting spin system, related to the Curie--Weiss model. We relax the Markovianity assumption by replacing the memoryless distribution of the waiting times of a classical spin-flip dynamics with a…
We examine a completely positive and trace preserving evolution of finite dimensional open quantum system, coupled to large environment via periodically modulated interaction Hamiltonian. We derive a corresponding Markovian Master Equation…
A global hybrid extension of variational two-electron reduced-density matrix (v2RDM)-driven multiconfiguration pair-density functional theory (MCPDFT) is developed. Using a linear decomposition of the electron-electron repulsion term, a…
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…
We consider a new formulation of the stochastic coupled cluster method in terms of the similarity transformed Hamiltonian. We show that improvement in the granularity with which the wavefunction is represented results in a reduction in the…
Natural orbital functional theory is considered for systems with one or more unpaired electrons. An extension of the Piris natural orbital functional (PNOF) based on electron pairing approach is presented, specifically, we extend the…
Path integral Monte Carlo simulations in the Wigner approach to quantum mechanics has been applied to calculate momentum and spin--resolved radial distribution functions of the strongly correlated soft--sphere quantum fermions. The obtained…
An exactly solvable model of two-component interacting Fermi vapour in two dimension within Thomas Fermi approach has been proposed. We assume a realistic off-diagonal s-wave interaction between fermions in the two hyperfine states. The…