Related papers: Coupling electrons and vibrations in molecular qua…
We introduce a novel computational framework for excited-states molecular quantum dynamics simulations driven by quantum computing-based electronic-structure calculations. This framework leverages the fewest-switches surface-hopping method…
The combined quantum electron-nuclear dynamics is often associated with the Born-Huang expansion of the molecular wave function and the appearance of nonadiabatic effects as a perturbation. On the other hand, native multicomponent…
A mathematically consistent procedure for coupling quasiclassical and quantum variables through coupled Hamilton-Heisenberg equations of motion is derived from a variational principle. During evolution, the quasiclassical variables become…
Quantum simulation is a promising near term application for mesoscale quantum information processors, with the potential to solve computationally intractable problems at the scale of just a few dozen interacting quantum systems. Recent…
We treat a system (a molecule or a solid) in which electrons are coupled linearly to any number and type of harmonic oscillators and which is further subject to external forces of arbitrary symmetry. With the treatment restricted to the…
The coupling of non-Hermitian PT-symmetric Hamiltonians to standard Hermitian Hamiltonians, each of which individually has a real energy spectrum, is explored by means of a number of soluble models. It is found that in all cases the energy…
An effective Hamiltonian without symmetry restriction has been developed to model the rotational and fine structure of two nearly degenerate electronic states of an open-shell molecule. In addition to the rotational Hamiltonian for an…
Quantum simulations of many-body systems offer novel methods for probing the dynamics of the Standard Model and its constituent gauge theories. Extracting low-energy predictions from such simulations rely on formulating…
A system of two initially homogeneous, physically real fields uniformly attracted to each other is considered as the simplest basis of the self-developing world structure. It is shown that the system is unstable against periodic cycles of…
We propose a Hamiltonian for a nonrelativistic spin 1/2 \QTR{it}{free} particle (e.g. an electron) and find that it contains information of its internal degrees of freedom in the rest coordinate system. We comment on the dynamical symmetry…
The Hamiltonian conservative system of two interacting particles has been considered both in classical and quantum description. The quantum model has been realized using a symmetrized two-particle basis reordered in the unperturbed energy.…
Spin Hamiltonian engineering in solid-state systems plays a key role in a variety of applications ranging from quantum information processing and quantum simulations to novel studies of many-body physics. By analyzing the irreducible form…
We report on recent improvements to our non-perturbative calculation of the positronium spectrum. Our Hamiltonian is a two-body effective interaction which incorporates one-photon exchange terms, but neglects fermion self-energy effects.…
An approach to the quantum-classical mechanics of phase space dependent operators, which has been proposed recently, is remodeled as a formalism for wave fields. Such wave fields obey a system of coupled non-linear equations that can be…
In this paper, a simple geometric structure is shown, which underlies the interaction Hamiltonian of quantum electrodynamics. Specifically, eight parts of the interaction Hamiltonian, corresponding to eight basic Feynman diagrams, are found…
The accurate computational determination of chemical, materials, biological, and atmospheric properties has critical impact on a wide range of health and environmental problems, but is deeply limited by the computational scaling of…
We calculate rovibrational energy levels of H$_2$O using a trapped-ion quantum computer. We first derive the qubit form of Watson's Hamiltonian, including the rovibrational coupling terms. In a second step, we employ a variant of the…
In this work, we provided a proof-of-principle of efficient production of maximally entangled states using charged quantum dots coupled to vibrational modes. The physical system consists of two pairs of quantum dots, each pair with a single…
We propose dynamical control schemes for Hamiltonian simulation in many-body quantum systems that avoid instantaneous control operations and rely solely on realistic bounded-strength control Hamiltonians. Each simulation protocol consists…
We present a computational framework to identify Hamiltonians of interacting quantum many-body systems that host non-ergodic excited states. We combine quantum Monte Carlo simulations with the recently proposed eigenstate-to-Hamiltonian…