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High-harmonic generation (HHG) spectrum from a LiH molecule induced by an intense laser pulse is computed and analyzed with potential energy surfaces for electron motion (ePES) constructed from a model of localized electron wave packets…
X-ray photoelectron spectra provide a wealth of information on the electronic structure. The extraction of molecular details requires adequate theoretical methods, which in case of transition metal complexes has to account for effects due…
Vibronic spectra of molecules are typically described within the Franck-Condon model. Here, we show that highly resolved vibronic spectra of large organic molecules on a single layer of MoS$_{2}$ on Au(111) show spatial variations in their…
Theory of quasiparticle spectra and the de Haas-van Alphen (dHvA) oscillation in type-II superconductors are developed based on the Bogoliubov-de Gennes equations for vortex-lattice states. As the pair potential grows through the…
Simulation and analysis of multidimensional dynamics of a quantum non-Hmeritian system is a challenging problem. Gaussian wavepacket dynamics has proven to be an intuitive semiclassical approach to approximately solving the dynamics of…
The vector electric-field Helmholtz equation, containing cross-polarization terms, is factored to produce both pseudo-differential and exponential operator forms of a three-dimensional, one-way, vector, wave equation for propagation through…
The Hermite functions are an orthonormalbasis of the space of square integrable functions with favourable approximation properties. Allowing for a flexible localization in position and momentum, the Hagedorn wavepackets generalize the…
Heisenberg's uncertainty principle implies that the quantum vacuum is not empty but fluctuates. These fluctuations can be converted into radiation through nonadiabatic changes in the Hamiltonian. Here, we discuss how to control this vacuum…
Two-photon UV-photolysis of hydrogen sulfide molecules is applied to produce hydrogen molecules in highly excited vibrational levels in the \X\ electronic ground state, up to the dissociation energy and into the quasibound region.…
We consider the Schr\"odinger operator with constant magnetic field defined on the half-plane with a Dirichlet boundary condition, $H_0$, and a decaying electric perturbation $V$. We analyze the spectral density near the Landau levels,…
With an extremely high dimensionality, the spatial degree of freedom of entangled photons is a key tool for quantum foundation and applied quantum techniques. To fully utilize the feature, the essential task is to experimentally…
The coherent-state initial-value representation (IVR) for the semi-classical real-time propagator of a quantum system, developed by Herman and Kluk (HK), is widely used in computational studies of chemical dynamics. On the other hand, the…
Due to the chiral nature of the Dirac equation, overlying of an electrical superlattice (SL) can open new Dirac points on the Fermi-surface of the energy spectrum. These lead to novel low-excitation physical phenomena. A typical example for…
A mathematical phase-space representation of the 1-dimensional Schr\"odinger equation is employed to obtain bound and resonance states of the rotationally excited H$_2$ molecule. The structure of the phase-space tangent field is analyzed…
Variational (Rayleigh-Ritz) methods are applied to local quantum field theory. For scalar theories the wave functional is parametrized in the form of a superposition of Gaussians and the expectation value of the Hamiltonian is expressed in…
The probing of coherent lattice vibrations in solids has been conventionally carried out using time-resolved transient spectroscopy where only the relative oscillation amplitude can be obtained. Using time-resolved X-ray techniques,…
We theoretically investigate the spectral caustics of high-order harmonics in solids. We analyze the 1-dimension model of solids HHG and find that, apart from the caustics originated from the van Hove singularities in the energy-band…
Described is n-level quantum system realized in the n-dimensional ''Hilbert'' space H with the scalar product G taken as a dynamical variable. The most general Lagrangian for the wave function and G is considered. Equations of motion and…
In this paper, we analyze two classes of spectral volume (SV) methods for one-dimensional hyperbolic equations with degenerate variable coefficients. The two classes of SV methods are constructed by letting a piecewise $k$-th order ($k\ge…
We study the ground state phase diagram of the bilayer Heisenberg model on square lattice with a Bosonic RVB wave function. The wave function has the form of a Gutzwiller projected Schwinger Boson mean field ground state and involves two…