Related papers: Multi-reference quantum chemistry protocol for sim…
The recursion and path-integral methods are applied to analytically study the electronic structure of a neutral $C_{60}$ molecule. We employ a tight-binding Hamiltonian which considers both the $s$ and $p$ valence electrons of carbon. From…
The Quasiparticle Random Phase Approximation (QRPA) is used in evaluation of the total muon capture ratesfor the final nuclei participating in double-beta decay. Several variants of the method are used, depending on the size of the single…
We present a new technique for observing low energy neutrinos with the aim of detecting the cosmic neutrino background using ion storage rings. Utilising high energy targets exploits the quadratic increase in the neutrino capture cross…
Purpose: A novel approach using nano technology enhanced radiation modalities is investigated. The proposed methodology uses antibodies labeled with organically inert metals with a high atomic number. Irradiation using photons with energies…
We present an efficient quantum algorithm for beyond-Born-Oppenheimer molecular energy computations. Our approach combines the quantum full configuration interaction method with the nuclear orbital plus molecular orbital (NOMO) method. We…
Attosecond noncollinear four wave mixing spectroscopy with one attosecond extreme ultraviolet (XUV) pulse and two few-cycle near-infrared (NIR) pulses was used to measure the autoionization decay lifetimes of inner valence electronic…
Quantum simulation of materials is a promising application area of quantum computers. To practically realize this promise, we must reduce quantum resources while maintaining accuracy. In electronic structure calculations on classical…
The Random Phase Approximation theory is used to calculate the total cross sections of electron neutrinos on $^{12}$C nucleus. The role of the excitation of the discrete spectrum is discussed. A comparison with electron scattering and muon…
Charge transfer between hyperthermal alkali atoms and metallic scattering surfaces is an experimental and theoretical arena for many-body interactions. To model new facets, we use a generalized time-dependent Newns-Anderson Hamiltonian…
We investigate the multiphoton ionization of hydrogen driven by a strong bichromatic microwave field. In a regime where classical and quantum simulations agree, periodic orbit analysis captures the mechanism: Through the linear stability of…
We discuss the decay of a two-level system into an engineered reservoir of coupled harmonic oscillators in the single-excitation manifold and propose its optical simulation with an homogeneous chain of coupled waveguides where individual…
An approach to derive low-complexity models describing thermal radiation for the sake of simulating the behavior of electric arcs in switchgear systems is presented. The idea is to approximate the (high dimensional) full-order equations,…
The original binary-encounter Bethe model of Kim and Eugene Rudd (1994 Phys. Rev. A 50 3954-67) has proven to be an accurate analytical representation of total impact ionisation cross sections of electrons colliding with atoms and…
Atomic nuclei are self-organized, many-body quantum systems bound by strong nuclear forces within femtometer-scale space. These complex systems manifest a variety of shapes, traditionally explored using non-invasive spectroscopic techniques…
The performance of basis sets made of numerical atomic orbitals is explored in density-functional calculations of solids and molecules. With the aim of optimizing basis quality while maintaining strict localization of the orbitals, as…
The elastic neutron-${}^3\mathrm{H}$ scattering at intermediate energies is studied using rigorous integral equations solved in the momentum-space partial-wave basis. The four-particle transition operators are expanded into…
A systematic study of the decay rates of antiprotonic helium (\pbhef and \pbhet) at CERN AD (Antiproton Decelerator) has been made by a laser spectroscopic method. The decay rates of some of its short-lived states, namely those for which…
We theoretically study orbital alignment in x-ray-ionized atoms and ions, based on improved electronic-structure calculations starting from the Hartree-Fock-Slater model. We employ first-order many-body perturbation theory to improve the…
For the bound-muon decay process, the study of atomic effects on the electron spectrum near its endpoint is performed within the framework of the Fermi effective theory. The analysis takes into account for corrections due to…
Ionization of atoms and molecules by absorption of a light pulse results in electron wavepackets carrying information on the atomic or molecular structure as well as on the dynamics of the ionization process. These wavepackets can be…