Related papers: General Time-Dependent Configuration-Interaction S…
The alignment dependence of the ionization behavior of H$_2$ exposed to intense ultrashort laser pulses is investigated on the basis of solutions of the full time-dependent Schr\"odinger equation within the fixed-nuclei and dipole…
As the simplest atomic system, the hydrogen atom plays a key benchmarking role in laser and quantum physics. Atomic hydrogen is a widely used atomic test system for theoretical calculations of strong-field ionization, since approximate…
In this work, a derivation and implementation of the relativistic time-dependent configuration interaction singles (RTDCIS) method is presented. Various observables for krypton and xenon atoms obtained by RTDCIS are compared with…
The charmonium-nucleon effective central interactions have been computed by the time-dependent HAL QCD method. This gives an updated result of a previous study based on the time-independent method, which is now known to be problematic…
The time-dependent restricted-active-space self-consistent-field (TD-RASSCF) method is formulated based on the TD variational principle. In analogy with the configuration-interaction singles (CIS), singles-and-doubles (CISD),…
The past years have witnessed impressive advances in electronic structure calculation, especially in the complexity and size of the systems studied, as well as in computation time. Linear scaling methods based on empirical tight-binding…
Ionization rates and Stark shifts of H$_2$, CO, O$_2$, H$_2$O, and CH$_4$ in static electric fields have been computed with coupled-cluster methods in a basis set of atom-centered Gaussian functions with complex-scaled exponent.…
High-harmonics generation spectroscopy is a promising tool for resolving electron dynamics and structure in atomic and molecular systems. This scheme, commonly described by the strong field approximation, requires a deep insight into the…
A general approach for transforming phase field equations into generalized curvilinear coordinates is proposed in this work. The proposed transformation can be applied to isotropic, non-isotropic, and curvilinear grids without adding any…
A new method for constructing a Hamiltonian for configuration interaction calculations with constraints to energies of spherical configurations obtained with energy-density-functional (EDF) methods is presented. This results in a unified…
A model describing the electronic transitions in an atom subject to a strong high frequency laser pulse is proposed in the velocity gauge. The model accounts for the initial state coupling with the the remaining discrete and continuum…
Theoretical approaches to the photoionization of few-electron atoms are discussed. These include nonequilibrium Greens functions and wave function based approaches. In particular, the Multiconfiguration Time-Dependent Hartree-Fock method is…
In this paper, we investigate the effects of full electronic correlation on the high harmonic generation in the helium atom subjected to laser pulses of extremely high intensity. To do this, we perform real-time propagations of the helium…
Finite symmetry adaptation techniques are applied to the determination of the intensity strength of two-photon transitions for ions with one partly-filled shell nl in crystalline environments of symmetry G. We treat the case of intra-…
Contact geometry allows to describe some thermodynamic and dissipative systems. In this paper we introduce a new geometric structure in order to describe time-dependent contact systems: cocontact manifolds. Within this setting we develop…
Heavy-ion collisions provide a versatile terrestrial probe of the nuclear equation of state through the formation of nuclear matter at a wide variety of temperatures, densities, and pressures. Direct and indirect approaches for constraining…
We review time-dependent multiconfiguration self-consistent-field (TD-MCSCF) method and time-dependent optimized coupled-cluster (TD-OCC) method for first-principles simulations of high-field phenomena such as tunneling ionization and…
We present a new high-performance configuration interaction code optimally designed for the calculation of the lowest energy eigenstates of a few electrons in semiconductor quantum dots (also called artificial atoms) in the strong…
The underlying scenario of low-energy heavy-ion collisions is presented based on time-dependent density-functional calculations. A classification of several types of reaction dynamics is given with respect to their time-scales.
Attosecond pump-probe ionization process can be used to prepare atomic ions in the coherent superposition of states with opposite parity. The multiphoton shake-up ionization of Helium, in particular, generates ions with same principal…