Related papers: The Exact Wavefunction Factorization of a Vibronic…
We identify peak and valley structures in the exact exchange-correlation potential of time-dependent density functional theory that are crucial for time-resolved electron scattering in a model one-dimensional system. These structures are…
We prove that the amplitudes for the (d,p), (d,pn) and (e,e'p) reactions determining the asymptotic behavior of the exact scattering wave functions in the corresponding channels are invariant under unitary correlation operators while the…
We discuss the occurence and properties of exact singular anyonic wave functions describing stationary states of two identical charged particles moving on a plane and under the influence of a perpendicular uniform magnetic field.
Spectral singularities and the coherent perfect absorption are two interrelated concepts that have originally been introduced and studied for linear waves interacting with complex potentials. In the meantime, the distinctive asymptotic…
Direct dynamics methods using Gaussian wavepackets have to rely only on local properties, such as gradients and hessians at the center of the wavepacket, so as to be compatible with the usual quantum chemistry methods. Matrix elements of…
Exact wavefunctions for N non-Abelian Chern-Simons (NACS) particles are obtained by the ladder operator approach. The same method has previously been applied to construct exact wavefunctions for multi-anyon systems. The two distinct base…
We analyse a nonadiabatic self-consistent field method by means of an exactly-solvable model. The method is based on nuclear and electronic orbitals that are functions of the cartesian coordinates in the laboratory-fixed frame. The kinetic…
Wave scattering in chaotic systems with a uniform energy loss (absorption) is considered. Within the random matrix approach we calculate exactly the energy correlation functions of different matrix elements of impedance or scattering…
We point out that, under certain conditions, the nuclear currents that couple to vector bosons can be written as the trace of the product of two matrices. One contains `nucleon dynamics', e.g. form factors, the other contains the overlaps…
Geometric phases play a crucial role in diverse fields. In chemistry they appear when a reaction path encircles an intersection between adiabatic potential energy surfaces and the molecular wavefunction experiences quantum-mechanical…
Exact fractals of nonlinear waves that rely on strong dispersion and nonlinearity and arise spontaneously out of magnetic media were observed for the first time. The experiments make use of a microwave to excite a spin wave in a…
We show that a noncyclic phase of geometric origin has to be included in the approximate adiabatic wave function. The adiabatic noncyclic geometric phase for systems exhibiting a conical intersection as well as for an Aharonov-Bohm…
The effect of nuclear dynamics and conical intersections on electronic coherences is investigated employing a two-state, two-mode linear vibronic coupling model. Exact quantum dynamical calculations are performed using the…
We propose a general variational fermionic many-body wavefunction that generates an effective Hamiltonian in a quadratic form, which can then be exactly solved. The theory can be constructed within the density functional theory framework,…
\begin{description} \item[Background] Fusion reactions play an important role in nucleosynthesis and in applications to society. Yet they remain challenging to model. \item[Purpose] In this work, we investigate the features of the…
A formal analysis is conducted on the exactness of various forms of unitary coupled cluster (UCC) theory based on particle-hole excitation and de-excitation operators. Both the conventional single exponential UCC parameterization and a…
We present here a new approach to determine an accurate variational wavefunction for general quantum antiferromagnets, completely defined by the requirement to reproduce the simple and well known spin-wave expansion. By this wavefunction,…
Composites are ideally suited to achieve desirable multifunctional effective properties since the best properties of different materials can be judiciously combined with designed microstructures. Here we establish cross-property relations…
Fromager and Lasorne [Electron. Struct. 6 025002 (2024)] have recently derived an in-principle exact Kohn-Sham density functional theory (KS-DFT) of electrons and nuclei, where the nuclear density and the (so-called conditional) electronic…
Building blocks containing strongly coupled posts offer new possibilities for advanced coaxial (comb-line) filter designs. Equivalent circuits based on the individual resonances of the posts cannot be used to reliably describe the behavior…