Related papers: A Mathematical Justification for the Herman-Kluk P…
An approximation Ansatz for the operator solution, $U(z',z)$, of a hyperbolic first-order pseudodifferential equation, $\d_z + a(z,x,D_x)$ with $\Re (a) \geq 0$, is constructed as the composition of global Fourier integral operators with…
We extend some recent results of Lubinsky, Levin, Simon, and Totik from measures with compact support to spectral measures of Schr\"odinger operators on the half-line. In particular, we define a reproducing kernel $S_L$ for Schr\"odinger…
Quantized systems whose underlying classical dynamics possess an elaborate mixture of regular and chaotic motion can exhibit rather subtle long-time quantum transport phenomena. In a short wavelength regime where semiclassical theories are…
Known as no fast-forwarding theorem in quantum computing, the simulation time for the Hamiltonian evolution needs to be $O(\|H\| t)$ in the worst case, which essentially states that one can not go across the multiple scales as the…
For two Coulombically interacting electrons in a quantum dot with harmonic confinement and a constant magnetic field, we show that time-dependent semiclassical calculations using the Herman-Kluk initial value representation of the…
When the semiclassical Herman-Kluk propagator is used for evaluating quantum-mechanical observables or time-correlation functions, the initial conditions for the guiding trajectories are typically sampled from the Husimi density. Here, we…
Semiclassical techniques constitute a promising route to approximate quantum dynamics based on classical trajectories starting from a quantum-mechanically correct distribution. One of their main drawbacks is the so-called zero-point energy…
The aim of this paper is to provide uniform estimates for the eigenvalue spacings of one-dimensional semiclassical Schr\"odinger operators with singular potentials on the half-line. We introduce a new development of semiclassical measures…
We consider a class of H\"ormander-type oscillatory integral operators in $\mathbb{R}^n$ for $n \geq 3$ odd with real analytic phase. We derive weak conditions on the phase which ensure $L^p$ bounds beyond the universal $p \geq 2 \cdot…
We numerically compare the semiclassical ``frozen Gaussian'' Herman-Kluk propagator [Chem. Phys. 91, 27 (1984)] and the ``thawed Gaussian'' propagator put forward recently by Baranger et al. [J. Phys. A 34, 7227 (2001)] by studying the…
The free-particle propagator, a key operator in various algorithms for simulating the time evolution of the Schr\"odinger equation, is studied. A multiscale approximation of this propagator is constructed, representing the semigroup…
A large time expansion for the propagator associated to a semiclassical non-selfadjoint magnetic Schr\"odinger operator is established, in terms of the low lying eigenvalues of the operator.
We present a proof that the operator norm of the commutator of certain spectral projections associated with spin operators converges to $\frac 1 2$ in the semiclassical limit. The ranges of the projections are spanned by all eigenvectors…
We exhibit limit-periodic Schr\"odinger operators that are uniformly localized in the strongest sense possible. That is, for these operators there are uniform exponential decay rates such that every element of the hull has a complete set of…
A mixed semiclassical initial value representation expression for spectroscopic calculations is derived. The formulation takes advantage of the time-averaging filtering and the hierarchical properties of different trajectory based…
We prove the global $L^p$-boundedness of Fourier integral operators that model the parametrices for hyperbolic partial differential equations, with amplitudes in classical H\"ormander classes $S^{m}_{\rho, \delta}(\mathbb{R}^n)$ for…
Quantum-classical molecular dynamics, as a partial classical limit of the full quantum Schr\"odinger equation, is a widely used framework for quantum molecular dynamics. The underlying equations are nonlinear in nature, containing a quantum…
We derive an exact propagation scheme for nonlinear Schroedinger equations. This scheme is entirely analogous to the propagation of linear Schroedinger equations. We accomplish this by defining a special operator whose algebraic properties…
We introduce low regularity exponential-type integrators for nonlinear Schr\"odinger equations for which first-order convergence only requires the boundedness of one additional derivative of the solution. More precisely, we will prove…
Based on the integral representation of the semiclassical propagator of Herman and Kluk (HK), and in the limit of high temperatures, we formulate a hybrid expression for the correlation function of infrared spectroscopy. This is achieved by…