Related papers: Time-dependent complete-active-space self-consiste…
An accurate description of electron correlation is one of the most challenging problems in quantum chemistry. The exact electron correlation can be obtained by means of full configuration interaction (FCI). A simple strategy for…
In present paper we develop an analytic theory for the harmonic generation of symmetric diatomic molecular ions beyond two-level model, emphasizing the influence of charge-resonance (CR) states those are strongly coupled to electromagnetic…
A relativistic version of the coupled-cluster single-double (CCSD) method is developed for atoms with a single valence electron. In earlier work, a linearized version of the CCSD method (with extensions to include a dominant class of triple…
Multicomponent methods seek to treat select nuclei, typically protons, fully quantum mechanically and equivalent to the electrons of a chemical system. In such methods, it is well known that due to the neglect of electron-proton…
We present the hybrid anti-symmetrized coupled channels method for the calculation of fully differential photo-electron spectra of multi-electron atoms and small molecules interacting with strong laser fields. The method unites quantum…
In this article, we illustrate how the Coulomb field of a highly relativistic electron beam can be shaped into a broadband pulse suitable for driving ultrafast and strong-field physics. In contrast to a solid-state laser, the Coulomb field…
The creation of light-matter hybrid states, polaritons, in a cavity offers new intriguing opportunities to manipulate the electronic structure and electron dynamics of atoms and molecules. Here, we investigate the effect of electronic…
High-order harmonics generated by bicircular laser field have helicities which alternate between $+1$ and $-1$. In order to generate circularly polarized high-harmonic pulses, which are important for applications, it is necessary to achieve…
We examine the relation between the recently proposed time-dependent quantum Monte Carlo (TDQMC) method and the principles of stochastic quantization. In both TDQMC and stochastic quantization particle motion obeys stochastic guidance…
Fixing molecules in space is a crucial step for the imaging of molecular structure and dynamics. Here, we demonstrate three-dimensional (3D) field-free alignment of the prototypical asymmetric top molecule indole using elliptically…
Since the advent of mesh-free methods as a tool for the numerical analysis of systems of Partial Differential Equations (PDEs), many variants of differential operator approximation have been proposed. In this work, we propose a local…
First principle theoretical modeling of out-of-equilibrium processes observed in attosecond pump-probe transient absorption spectroscopy (TAS) triggering pure electron dynamics remains a challenging task, specially for heavy elements and/or…
The magnetised solar wind modulates the Galactic cosmic ray flux in the heliosphere up to rigidities as high as 40 GeV. In this work, we present a new and straightforward extension of the popular, but limited force-field model, thus…
In this work, we investigate the possibility of improving multireference-driven coupled cluster (CC) approaches with an algorithm that iteratively combines complete active space (CAS) calculations with tailored CC and externally corrected…
High-order frequency mixing in graphene using a two-color radiation field consisting of the fundamental and the second harmonic fields of an ultrashort linearly polarized laser pulse is studied. It is shown that the harmonics originated…
Strong-field methods in solids enable new strategies for ultrafast nonlinear spectroscopy and provide all-optical insights into the electronic properties of condensed matter in reciprocal and real space. Additionally, solid-state media…
Irradiation of sharp silver tips with femtosecond laser pulses leads to photoassisted coherent field emission without a static field. We reconstruct the time profile of the emission, and show that the process is entirely governed by the…
In recent publications, it has been shown that high-order harmonic generation can be manipulated by employing a time-delayed attosecond pulse train superposed to a strong, near-infrared laser field. It is an open question, however, which is…
We investigate the multielectron effects on high-harmonic generation from solid-state materials using the time-dependent Hartree-Fock theory. We find qualitative change in harmonic spectra, in particular, multiple-plateau formation at…
Static electric response properties of atoms and molecules are reported within the real-space Cartesian grid implementation of pseudopotential Kohn-Sham (KS) density functional theory (DFT). A detailed systematic investigation is made for a…