Related papers: Herman-Kluk-Like Semi-Classical Initial-Value Repr…
The overcompleteness of the coherent states basis leads to a multiplicity of representations of Feynman's path integral. These different representations, although equivalent quantum mechanically, lead to different semiclassical limits. Two…
In single vibronic level (SVL) fluorescence experiments, the electronically excited initial state is also excited in one or several vibrational modes. Whereas computing all contributing Franck-Condon factors individually becomes impractical…
The Hamiltonian operator plays a central role in quantum theory being a generator of unitary quantum dynamics. Its expectation value describes the energy of a quantum system. Typically being a non-unitary operator, the action of the…
The homogeneous isotropic Boltzmann equation (HIBE) is a fundamental dynamic model for many applications in thermodynamics, econophysics and sociodynamics. Despite recent hardware improvements, the solution of the Boltzmann equation remains…
We introduce a general variational framework to address the tunneling of hot Fermi systems. We use the representation of the trace of the imaginary time $\tau=it$ propagator as a functional integral type of a sum over complete sets of…
We develop a phase-space framework for fractional generalised anharmonic oscillators and their heat semigroups on weighted modulation spaces. We consider operators of the form \[ \mathcal{H}_{k,l}=(-\Delta)^{l}+V(x), \] where $V$ is a…
We analyze strong field atomic dynamics semiclassically, based on a full time-dependent description with the Hermann-Kluk propagator. From the properties of the exact classical trajectories, in particular the accumulation of action in time,…
We propose a Hermite spectral method for the spatially inhomogeneous Boltzmann equation. For the inverse-power-law model, we generalize an approximate quadratic collision operator defined in the normalized and dimensionless setting to an…
We develop a comprehensive framework for spatio-temporal prediction of time-varying vector fields using operator-valued reproducing kernel Hilbert spaces (OV RKHS). By integrating Sobolev regularity with Koopman operator theory, we…
Imaginary-time evolution plays an important role in algorithms for computing ground-state and thermal equilibrium properties of quantum systems, but can be challenging to simulate on classical computers. Many quantum algorithms for…
We present in the article the formulation of a version of Lorentz covariant quantum mechanics based on a group theoretical construction from a Heisenberg-Weyl symmetry with position and momentum operators transforming as Minkowski…
The Caldeira-Leggett model provides a compact characterization of a thermal environment in terms of a spectral density function. This simplicity has led to a variety of numerically exact quantum methods for reduced density matrix…
We in this paper study the quantization of a particle in an inverted potential well. The Hamiltonian is Hermitian, while the potential is unbounded below. Classically the particle moves away acceleratingly from the center of potential top.…
We show that the stochastic dynamics of a large class of one-dimensional interacting particle systems may be presented by integrable quantum spin Hamiltonians. Using the Bethe ansatz and similarity transformations this yields new exact…
The recently introduced mixed time-averaging semiclassical initial value representation molecular dynamics method for spectroscopic calculations [M. Buchholz, F. Grossmann, and M. Ceotto, J. Chem. Phys. 144, 094102 (2016)] is applied to…
The most realistic situations in quantum mechanics involve the interaction between two or more systems. In the most of reliable models, the form and structure of the interactions generate differential equations which are, in the most of…
Non commutative quantum mechanics can be viewed as a quantum system represented in the space of Hilbert-Schmidt operators acting on non commutative configuration space. Taking this as departure point, we formulate a coherent state approach…
The variable range hopping (VRH) model has been widely applied to describe electrical transport in disordered systems, providing theoretical formulas to fit temperature-dependent electric conductivity. These models rely on oversimplified…
We test the ability of semiclassical theory to describe quantitatively the revival of quantum wavepackets --a long time phenomena-- in the one dimensional quartic oscillator (a Kerr type Hamiltonian). Two semiclassical theories are…
Imaginary-time path integral (PI) is a rigorous tool to treat nuclear quantum effects in static properties. However, with its high computational demand, it is crucial to devise precise estimators. We introduce generalized PI estimators for…