Related papers: Path-Integral Isomorphic Hamiltonian for Including…
Modified Hamiltonians are used in the field of geometric numerical integration to show that symplectic schemes for Hamiltonian systems are accurate over long times. For nonlinear systems the series defining the modified Hamiltonian usually…
This work develops a symplectic framework for quantum computing to be applied to classical Hamiltonian systems, exploiting the intrinsic geometric compatibility between unitary quantum evolution and symplectic phase-space dynamics in a…
The concept of parity-time (PT) symmetry originates from the framework of quantum mechanics, where if the Hamiltonian operator satisfies the commutation relation with the parity and time operators, it shows all real eigen-energy spectrum.…
Hamiltonian systems of ordinary and partial differential equations are fundamental mathematical models spanning virtually all physical scales. A critical property for the robustness and stability of computational methods in such systems is…
Microscopically conserving reduced models of many-body systems have a long, highly successful history. Established theories of this type are the random-phase approximation for Coulomb fluids and the particle-particle ladder model for…
We introduce a new path integral Monte Carlo method for investigating nonadiabatic systems in thermal equilibrium and demonstrate an approach to reducing stochastic error. We derive a general path integral expression for the partition…
Quantum computing employs controllable interactions to perform sequences of logical gates and entire algorithms on quantum registers. This paradigm has been widely explored, e.g., for simulating dynamics of manybody systems by decomposing…
The theoretical investigation of non-adiabatic processes is hampered by the complexity of the coupled electron-nuclear dynamics beyond the Born-Oppenheimer approximation. Classically, the simulation of such reactions is limited by the…
Open quantum systems host a wide range of intriguing phenomena, yet their simulation on well-controlled quantum devices is challenging, owing to the exponential growth of the Hilbert space and the inherently non-unitary nature of the…
In this paper, we consider some second-order effective Hamiltonians describing the interaction of the quantum electromagnetic field with atoms or molecules in the nonrelativistic limit. Our procedure is valid only for off-energy-shell…
Non-hermiticity presents a vast newly opened territory that harbors new physics and applications such as lasing and sensing. However, only non-Hermitian systems with real eigenenergies are stable, and great efforts have been devoted in…
In a recent paper a slightly modified version of the Bateman system, originally proposed to describe a damped harmonic oscillator, was proposed. This system is really different from the Bateman's one, in the sense that this latter cannot be…
We develop a phase-space electronic structure theory of molecules in magnetic fields. For a system of electrons in a magnetic field with vector potential $\bf{A}(\hat{\bf{r}})$, the usual Born-Oppenheimer Hamiltonian is the sum of the…
We present a novel semiclassical phase-space surface hopping approach that goes beyond the Born-Oppenheimer approximation and all existing surface hopping formalisms. We demonstrate that working with a correct phase-space electronic…
A method of deriving the Hamiltonian of the interacting boson model, that is based on the microscopic framework of the nuclear energy density functional, is presented. The constrained self-consistent mean-field calculation with a given…
The study of phase transitions in dissipative quantum systems based on the Liouvillian is often hindered by the difficulty of constructing a time-local master equation when the system-environment coupling is strong. To address this issue,…
Energy spectroscopy is a powerful tool with diverse applications across various disciplines. The advent of programmable digital quantum simulators opens new possibilities for conducting spectroscopy on various models using a single device.…
The motivation for studying non-Hermitian systems and the role of $\mathcal{PT}$-symmetry is discussed. We investigate the use of a quantum algorithm to find the eigenvalues and eigenvectors of non-Hermitian Hamiltonians, with applications…
Non-adiabatic dynamics at molecule-metal interfaces govern diverse and technologically important phenomena, from heterogeneous catalysis to dye-sensitized solar energy conversion and charge transport across molecular junctions. Realistic…
Starting with the generally well accepted opinion that quantizing an arbitrary Hamiltonian system involves picking out some additional structure on the classical phase space (the {\sl shadow} of quantum mechanics in the classical theory),…