Related papers: Functional differentiability in time-dependent qua…
How to accurately solve time-dependent Schr\"odinger equation is an interesting and important problem. Here, we propose a novel method to obtain the exact Floquet solutions of the Schr\"odinger equation for periodically driven systems by…
Time-dependent orbital-free DFT is an efficient method for calculating the dynamic properties of large scale quantum systems due to the low computational cost compared to standard time-dependent DFT. We formalize this method by mapping the…
A propagator for the one dimensional time-dependent Schr\"odinger equation with an asymmetric rectangular potential is obtained using the multiple-scattering theory approach. It allows for the consideration of the reflection and…
We show that the time-dependence of correlation functions in an extended quantum system in d dimensions, which is prepared in the ground state of some hamiltonian and then evolves without dissipation according to some other hamiltonian, may…
Understanding the thermodynamic properties of many-body quantum systems and their emergence from microscopic laws is a topic of great significance due to its profound fundamental implications and extensive practical applications. Recent…
The time dependence of one-dimensional quantum mechanical probability densities is presented when the potential in which a particle moves is suddenly changed, called a quench. Quantum quenches are mainly addressed but a comparison with…
Structural properties are given for $D(K)$, the Banach algebra of (complex) differences of bounded semi-continuous functons on a metric space $K$. For example, it is proved that if all finite derived sets of $K$ are non-empty, then a…
Time-dependent density functional theory is thought to work well for the test cases of He and Be atoms. We perform a quantum defect analysis of the s, p, and d Rydberg states of Be with accurate ground state Kohn-Sham potentials. The s- and…
In this paper, we investigate the existence and characterizations of the Fr\'echet derivatives of the solution to time-harmonic elastic scattering problems with respect to the boundary of the obstacle. Our analysis is based on a technique -…
When can we map a classical density profile to an external potential? In equilibrium, without time dependence, the one-body density is known to specify the external potential that is applied to the many-body system. This mapping from a…
In this Colloquium, the wavefunction-based Multiconfigurational Time-Dependent Hartree approaches to the dynamics of indistinguishable particles (MCTDH-F for Fermions and MCTDH-B for Bosons) are reviewed. MCTDH-B and MCTDH-F or, together,…
We review the theoretical background for obtaining both quantum defects and scattering phase shifts from time-dependent density functional theory. The quantum defect on the negative energy side of the spectrum and the phase shift on the…
We present a novel family of continuous, linear time-frequency transforms adaptable to a multitude of (nonlinear) frequency scales. Similar to classical time-frequency or time-scale representations, the representation coefficients are…
In the first days of quantum mechanics Dirac pointed out an analogy between the time-dependent coefficients of an expansion of the Schr\"odinger equation and the classical position and momentum variables solving Hamilton's equations. Here…
From classical stochastic equations of motion we derive the quantum Schr\"odinger equation. The derivation is carried out by assuming that the real and imaginary parts of the wave function $\phi$ are proportional to the coordinates and…
The time-dependent variational principle for many-body trial states is used to discuss the relation between the approaches of different molecular dynamics models to describe indistinguishable fermions. Early attempts to include effects of…
Time-dependent density functional theory (TDDFT) is presently enjoying enormous popularity in quantum chemistry, as a useful tool for extracting electronic excited state energies. This article discusses how TDDFT is much broader in scope,…
Most present applications of time-dependent density functional theory use adiabatic functionals, i.e. the effective potential at time t is determined solely by the density at the same time. This paper discusses a method that aims to go…
We study the temporal formation of quantum mechanical bound states within a one-dimensional attractive square-well potential, by first solving the time-independent Schroedinger equation and then study a time dependent system with an…
We study an inverse problem of determining a time-dependent potential appearing in the wave equation in conformally transversally anisotropic manifolds of dimension three or higher. These are compact Riemannian manifolds with boundary that…