Related papers: Vibrationally Resolved Coupled Cluster X-Ray Absor…
We present an efficient implementation of the Bethe-Salpeter equation (BSE) method for obtaining core-level spectra including x-ray absorption (XAS), x-ray emission (XES), and both resonant and non-resonant inelastic x-ray scattering…
In single-reference coupled-cluster (CC) methods, one has to solve a set of non-linear polynomial equations in order to determine the so-called amplitudes which are then used to compute the energy and other properties. Although it is of…
We present an improved scheme for absorption imaging of alkali atoms at moderate magnetic fields, where the excited state is well in the Paschen-Back regime but the ground state hyperfine manifold is not. It utilizes four atomic levels to…
We approach the biexciton Schr\"{o}dinger equation not through the free-carrier basis as usually done, but through the free-exciton basis, exciton-exciton interactions being treated according to the recently developed composite boson…
Solar oscillations can be modeled by Galbrun's equation which describes Lagrangian wave displacement in a self-gravitating stratified medium. For spherically symmetric backgrounds, we construct an algorithm to compute efficiently and…
A precise calculation that translates shifts of X-ray K-absorption edges to variations of thermodynamic properties allows quantitative characterization of interior thermodynamic properties of warm dense plasmas by X-ray absorption…
We present a simple closed expression for determining the condition for Coherent Perfect Absorption derived through electromagnetic wave treatment and interface boundary conditions. Apart from providing physical insight this expression can…
We present a theoretical study of the unielectronic energy spectra, electron localization, and optical absorption of triangular core-shell quantum rings. We show how these properties depend on geometric details of the triangle, such as side…
The precise theoretical determination of the geometrical parameters of molecules at the minima of their potential energy surface and of the corresponding vibrational properties are of fundamental importance for the interpretation of…
The variational method and the Hamiltonian formalism of QCD are used to derive relativistic, momentum space integral equations for a quark-antiquark system with an arbitrary number of gluons present. As a first step, the resulting infinite…
Correlation-function expressions are derived for the coherent nonlinear response of molecules to three resonant ultrafast pulses in the x-ray regime. The ability to create two-core-hole states with controlled attosecond timing in…
Motivated by recent work indicating that the UV continuum in AGN may be produced by reradiation of energy absorbed from X-rays irradiating an accretion disk, we present a calculation of the vertical structures and ultraviolet spectra of…
A vibrational wavepacket in SF$_6$, created by impulsive stimulated Raman scattering with a few-cycle infrared pulse, is mapped onto five sulfur core-excited states using table-top soft X-ray transient absorption spectroscopy between…
Microscopic quantum theory of nonlinear stimulated scattering of 2D Dirac particles in doped graphene on Coulomb field of impurity ions at the presence of an external strong coherent electromagnetic radiation is developed. We consider high…
An algebraic method especially suited to describe strongly anharmonic vibrational spectra in molecules may be an appropriate framework to study vibrational spectra of Na$^+_n$ clusters, where nearly flat potential energy surfaces and the…
In this paper, we report large-scale configuration interaction (CI) calculations of linear optical absorption spectra of various isomers of magnesium clusters Mg$_{n}$ (n=2--5), corresponding to valence transitions. Geometry optimization of…
We calculate the potential energy curves, the permanent dipole moment curves, and the lifetimes of the ground and excited vibrational states of the heteronuclear alkali dimers XY (X, Y = Li, Na, K, Rb, Cs) in the X1{\Sigma}+ electronic…
Our ab initio calculations of CO adsorption on several low and high miller index surfaces of Cu show that the adsorption energy increases as the coordination of the adsorption site decreases from 11 to 6, in qualitative agreement with…
Soft x-ray linear and circular dichroism (XLD, XMCD) experiments at the Ce M$_{4,5}$ edges are being used to determine the energy scales characterizing the Ce $4f$ degrees of freedom in the ultrathin ordered surface intermetallic…
We derive a Hierarchical Equations of Motion (HEOM) description of nonadiabatic Herzberg-Teller type coupling effects and of non-Condon effects in a system of electronic transitions interacting with intra- and inter-molecular vibrational…