Related papers: MADWAVE3: a quantum time dependent wave packet cod…
Mixed quantum-classical mechanics descriptions are critical to modeling coupled electron-nuclear dynamics, i.e. non-adiabatic molecular dynamics, relevant to photochemical and photophysical processes. We argue that, for polyatomic…
A quantum-mechanical analysis of hyper-fast (faster than ballistic) diffusion of a quantum wave packet in random optical lattices is presented. The main motivation of the presented analysis is experimental demonstrations of hyper-diffusive…
This work presents a computer program that performs symmetry-unrestricted 3D nuclear time-dependent density function theory (DFT) calculations. The program features the augmented Lagrangian constraint in the static calculation. This allows…
A computational fluid dynamics code is differentiated using algorithmic differentiation (AD) in both tangent and adjoint modes. The two novelties of the present approach are 1) the adjoint code is obtained by letting the AD tool Tapenade…
An indispensable ingredient for pair density wave (PDW) superconductivity is the presence of an attractive pairing interaction at finite momentum. Here, we show how this condition can be met with straightforward electron-density…
A summary of recent researches on nuclear dynamics with realistic microscopic quantum approaches is presented. The Balian-V\'en\'eroni variational principle is used to derive the time-dependent Hartree-Fock (TDHF) equation describing the…
Accurately describing strongly correlated electronic systems remains a central challenge in quantum chemistry, as electron-electron interactions give rise to complex many-body wavefunctions that are difficult to capture with conventional…
Hybrid codes are widely used to model ion-scale phenomena in space plasmas. Hybrid codes differ from full particle (PIC) codes in that the electrons are modeled as a fluid that is usually assumed to be massless, while the electric field is…
A new fluid model for runaway electron simulation based on fluid description is introduced and implemented in the magnetohydrodynamics code M3D-C1, which includes self-consistent interactions between plasma and runaway electrons. The model…
Solar flares involve complex processes that are coupled and span a wide range of temporal, spatial, and energy scales. Modeling such processes self-consistently has been a challenge in the past. Here we present results from simulations that…
Akin to the traditional quasi-classical trajectory method for investigating the dynamics on a single adiabatic potential energy surface for an elementary chemical reaction, we carry out the dynamics on a 2-state ab initio potential energy…
To explore the structure of the QCD phase diagram in high baryon density domain, several high-energy nuclear collision experiments in a wide range of beam energies are currently performed or planned using many accelerator facilities. In…
We propose a technique to prepare coherent superpositions of two nondegenerate quantum states in a three-state ladder system, driven by two simultaneous fields near resonance with an intermediate state. The technique, of potential…
The computation of the nuclear quantum dynamics of molecules is challenging, requiring both accuracy and efficiency to be applicable to systems of interest. Recently, theories have been developed for employing time-dependent basis functions…
A scheme for arbitrary quantum state engineering (QSE) in three-state systems is proposed. Firstly, starting from a set of complete orthogonal time-dependent basis with undetermined coefficients, a time-dependent Hamiltonian is derived via…
The relativistic Faddeev equation for three-nucleon scattering is formulated in momentum space and directly solved in terms of momentum vectors without employing a partial wave decomposition. Relativistic invariance is achieved by…
A relativistic 3-fluid 3D hydrodynamic model has been developed for describing heavy-ion collisions at incident energies between few and $\sim$ 200 A$\cdot$GeV. In addition to two baryon-rich fluids which simulate mutually decelerating…
In this paper, a theoretical method for the efficient creation and detection of deeply bound molecules in three-state $\Lambda$-type and five-state M-type molecular systems is proposed. The method is based on the three-state coincident…
An investigation to optimize the application of the third-generation charge optimized many-body (COMB3) interatomic potential and associated input parameters was carried out through the study of solid-liquid interactions in classical…
The first step toward the application of an effective non partial wave (PW) numerical approach to few-body atomic bound states has been taken. The two-body transition amplitude which appears in the kernel of three-dimensional…