Related papers: Path-Integral Isomorphic Hamiltonian for Including…
Electronic structure simulation is an anticipated application for quantum computers. Due to high-dimensional quantum entanglement in strongly correlated systems, the quantum resources required to perform such simulations are far beyond the…
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…
We present a comprehensive computational framework for simulating nonadiabatic molecular dynamics with explicit inclusion of geometric phase (GP) effects. Our approach is based on a generalized two-level Hamiltonian model that can represent…
Digital-analog is a quantum computational paradigm that employs the natural interaction Hamiltonian of a system as the entangling resource, combined with single qubit gates, to implement universal quantum operations. As in the case of its…
For quantum systems with competing potentials, the conventional perturbation theory often yields an asymptotic series and the subsequent numerical outcome becomes uncertain. To tackle such kind of problems, we develop a general solution…
Non-Hermitian physics exhibits unique physical properties beyond those of traditional Hermitian systems, such as symmetry breaking, the emergence of exceptional points, topological phase transitions, and more. These phenomena have been…
Recently, a generalization of the standard optical multiport was proposed [Phys. Rev. A 93, 043845 (2016)]. These directionally unbiased multiports allow photons to reverse direction and exit backwards from the input port, providing a…
Including quantum mechanical effects on the dynamics of nuclei in the condensed phase is challenging, because the complexity of exact methods grows exponentially with the number of quantum degrees of freedom. Efforts to circumvent these…
We report the quantum computing of reacting flows by simulating the Hamiltonian dynamics. The scalar transport equation for reacting flows is transformed into a Hamiltonian system, mapping the dissipative and non-Hermitian problem in…
To take into account nuclear quantum effects on the dynamics of atoms, the path integral molecular dynamics (PIMD) method used since 1980s is based on the formalism developed by R. P. Feynman. However, the huge computation time required for…
Application of the adiabatic model of quantum computation requires efficient encoding of the solution to computational problems into the lowest eigenstate of a Hamiltonian that supports universal adiabatic quantum computation. Experimental…
Adaptive Molecular Resolution approaches in Molecular Dynamics are becoming relevant tools for the analysis of molecular liquids characterized by the interplay of different physical scales. The essential difference among these methods is in…
In this contribution a path integral approach for the quantum motion on three-dimensional spaces according to Koenigs, for short``Koenigs-Spaces'', is discussed. Their construction is simple: One takes a Hamiltonian from three-dimensional…
Digital-analog quantum computation aims to reduce the currently infeasible resource requirements needed for near-term quantum information processing by replacing sequences of one- and two-qubit gates with a unitary transformation generated…
We develop a unified quantum geometric framework to understand reactive quantum dynamics. The critical roles of the quantum geometry of adiabatic electronic states in both adiabatic and non-adiabatic quantum dynamics are unveiled. A…
Many promising quantum applications depend on the efficient quantum simulation of an exponentially large sparse Hamiltonian, a task known as sparse Hamiltonian simulation, which is fundamentally important in quantum computation. Although…
Classical polarizable approaches have become the gold standard for simulating complex systems and processes in the condensed phase. These methods describe intrinsically dissipative polarizable media, requiring a formal definition within the…
The method of the envelope Hamiltonian [K. Toyota, U. Saalmann, and J. M. Rost, New J. Phys. {\bf 17}, 073005~(2015)] is applied to further study a detachment dynamics of a model negative ion in one-dimension in high-frequency regime. This…
For the description of the transport of electrons across a quantum dot, which is tunnel coupled to leads at different chemical potentials, it is usual to assume that the total Hamiltonian of the composite system of the leads and the quantum…
Recently, the ``Bootstrap" technique was applied in Quantum Mechanics to solve the eigenspectra of Hermitian Hamiltonians and extended to non-Hermitian PT-symmetric systems. However, its application has been limited to real spectra. In this…