Related papers: Coupled cluster simulation of impulsive stimulated…
Adiabatic mixed quantum/classical molecular dynamics simulations were used to generate snapshots of the hydrated electron (e-) in liquid water at 300 K. Water cluster anions that include two complete solvation shells centered on the e- were…
We describe numerically the ionization process induced by linearly and circularly polarized XUV attosecond laser pulses on an aligned atomic target, specifically, the excited state…
An iterative coupling algorithm based on restricted additive Schwarz domain decomposition is investigated to co-simulate electrical circuits with hybrid electromagnetic (EMT) and transient stability (TS) modeled using dynamic phasors. This…
We examine the effect of cluster size on the interaction of Ar$_{55}$-Ar$_{2057}$ with intense extreme ultraviolet (XUV) pulses, using a model we developed earlier that includes ionization via collisional excitation as an intermediate step.…
Quantum--Mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those…
We propose a new scenario to apply IR-pump-XUV-probe schemes to resolving strong field ionization induced and attosecond pulse driven electron-hole dynamics and coherence in real time. The coherent driving of both the infrared laser and the…
We propose a general technique to retrieve the information of dipole-forbidden resonances in the autoionizing region. In the simulation, a helium atom is pumped by an isolated attosecond pulse in the extreme ultraviolet (EUV) combined with…
Elastic-scattering phase shifts for four-nucleon systems are studied in an $ab$-$initio$ type cluster model in order to clarify the role of the tensor force and to investigate cluster distortions in low energy $d+d$ and $t+p$ scattering. In…
Numerical simulations of radiative processes in magnetized compact sources such as hot accretion disks around black holes, relativistic jets in active galaxies and gamma-ray bursts are complicated because the particle and photon…
Molecular clouds are observed to be turbulent, but the origin of this turbulence is not well understood. As a result, there are two different approaches to simulating molecular clouds, one in which the turbulence is allowed to decay after…
The ground-state correlation energy calculated in the random-phase approximation (RPA) is known to be identical to that calculated using a subset of terms appearing in coupled-cluster theory with double excitations. In particular, this…
A novel approach to rapidly converging high-level coupled-cluster (CC) energetics in an automated fashion is proposed. The key idea is an adaptive selection of the excitation manifolds defining higher-than-two-body components of the cluster…
Coherent population transfer between nuclear states using x-ray laser pulses is studied. The laser pulses drive two nuclear transitions between three nuclear states in a setup reminding of stimulated Raman adiabatic passage used for atomic…
An atomic-orbital basis set framework is presented for carrying out velocity- gauge real-time time-dependent density functional theory (TDDFT) simulations in periodic systems employing range-separated hybrid functionals. Linear optical…
We present the positron coupled cluster singles and doubles (POS-CCSD) method to calculate positron binding energies in molecules. This framework treats electrons and positrons on an equal footing and includes up to simultaneous…
We have studied electron correlations in the doped two-dimensional (2D) Hubbard model by using the coupled-cluster method (CCM) to investigate whether or not the method can be applied to correct the independent particle approximations…
Single reference coupled-cluster (CC) methods for electronic excitation are based on a biorthogonal representation (bCC) of the (shifted) Hamiltonian in terms of excited CC states, also referred to as correlated excited (CE) states, and an…
We develop an operator-based framework to coarse-grain interacting particle systems that exhibit clustering dynamics. Starting from the particle-based transfer operator, we first construct a sequence of reduced representations: the operator…
The most important evidences for non-thermal phenomena in galaxy clusters comes from the spectacular synchrotron radio emission diffused over Mpc scale observed in a growing number of massive clusters. A promising possibility to explain…
The temporal dynamics of stimulated emission is studied, with the particular emphasis on stimulated emission induced by x-ray pulses interacting with nuclei. In typical nuclear forward scattering experiments, the short incident x-ray pulse…