Related papers: Gaussians for Electronic and Rovibrational Quantum…
Various explicitly correlated Gaussian (ECG) basis sets are considered for the solution of the molecular Schr\"odinger equation with particular attention to the simplest polyatomic system, H$_3^+$. Shortcomings and advantages are discussed…
We demonstrate how to determine numerically nearly exact orthonormal orbitals that are optimal for evaluation of the energy of arbitrary (correlated) states of atoms and molecules by minimization of the energy Lagrangian. Orbitals are…
We illustrate through explicit numerical calculations how the Born-rule probability densities of non-relativistic quantum mechanics emerge naturally from the particle dynamics of de Broglie-Bohm pilot-wave theory. The time evolution of a…
We investigate the quantum dynamics of fermionic particles interacting with a laser field in a gaseous medium, in the regime of inelastic diffraction scattering on the phase lattice of a slowed travelling wave, below the critical field of…
Adiabatic approximations are a powerful tool for simplifying nonlinear quantum dynamics, and are applicable whenever a system exhibits a hierarchy of time scales. Current interest in small nonlinear quantum systems, such as few-mode…
The quantum mechanical motion of the atomic nuclei is considered over a single- or a multi-dimensional subspace of electronic states which is separated by a gap from the rest of the electronic spectrum over the relevant range of nuclear…
We present a detailed study of the dynamics of electronic wavepackets in Fibonacci semiconductor superlattices, both in flat band conditions and subject to homogeneous electric fields perpendicular to the layers. Coherent propagation of…
Starting from the unmixed Lagrangian, the electro-weak radiative corrections are recomputed using symmetrical generalised functions. All gauge bosons acquire an indeterminate mass. Electro-weak mixing is obtained by diagonalization of the…
Many-body correlations govern a variety of important quantum phenomena such as the emergence of superconductivity and magnetism. Understanding quantum many-body systems is thus one of the central goals of modern sciences. Here we…
We here present the first analytic effective fly-by (EFB) waveforms designed to accurately capture the burst of gravitational radiation from the closest approach of highly eccentric compact binaries. The waveforms are constructed by…
We use Bayesian optimization in combination with three-dimensional particle-in-cell simulations to determine the optimal laser and plasma parameters that, for a given laser pulse energy, maximize the cut-off energy of an electron beam…
We test a non equilibrium approach to study the behavior of a Bose-Fermi mixture of alkali atoms in the presence of a Feshbach resonance between bosons and fermions. To this end we derive the Hartree-Fock-Bogoliubov (HFB) equations of…
Fullerene complexes may play a key role in the design of future molecular electronics and nanostructured devices with potential applications in light harvesting using organic solar cells. Charge and energy flow in these systems is mediated…
Quantum fluctuations of the electromagnetic vacuum are responsible for physical effects such as the Casimir force and the radiative decay of atoms, and set fundamental limits on the sensitivity of measurements. Entanglement between photons…
We present a macroscopic theory of electroencephalogram (EEG) dynamics based on the laws of motion that govern atomic and molecular motion. The theory is an application of Zwanzig-Mori projection operators. The result is a simple equation…
Phase-space electronic structure theory offers up a new and powerful approach for tackling problems with coupled nuclear-electronic dynamics in a fashion that goes beyond Born-Oppenheimer (BO) theory. Whereas BO theory stipulates that we…
If one-electron observables of a many-electron system are of interest, a many-electron dynamics can be represented exactly by a one-electron dynamics with effective potentials. The formalism for this reduction is provided by the Exact…
In this work, we observe a novel resonant mechanism, namely the modulation-induced Feshbach resonance. By applying a far-detuned laser to the cesium D2 transition with intensity modulation, we periodically shake the energy levels of atomic…
We review the empirical evidence for the validity of the Standard Electroweak Theory in nature. The experimental data are interpreted in terms of an effective Lagrangian for Z physics, allowing for potential sources of SU(2) violation and…
We develop a unified quantum geometric framework to understand reactive quantum dynamics. The critical roles of the quantum geometry of adiabatic electronic states in both adiabatic and non-adiabatic quantum dynamics are unveiled. A…