Related papers: Faddeev Random Phase Approximation applied to mole…
The paper analyses stochastic systems describing reacting molecular systems with a combination of two types of state spaces, a finite-dimensional, and an infinite dimenional part. As a typical situation consider the interaction of larger…
The Random Phase Approximation (RPA) for total energies has previously been shown to provide a qualitatively correct description of static correlation in molecular systems, where density functional theory (DFT) with local functionals are…
The reaction-diffusion master equation (RDME) is commonly used to model processes where both the spatial and stochastic nature of chemical reactions need to be considered. We show that the RDME in many cases is inconsistent with a…
Preliminary ab-initio applications of many-body Green's functions theory to the ground state of He-4 suggest that high accuracy can be achieved in the so-called Faddeev-random-phase-approximation method. We stress the potentialities of this…
We investigate the process of photon absorption by atoms or molecules shortly interacting with a laser beam in the dipole approximation. Assuming that the interaction time $\tau$ is much smaller than the lifetime of the corresponding…
A non-linear conjugate gradient optimization scheme is used to obtain excitation energies within the Random Phase Approximation (RPA). The solutions to the RPA eigenvalue equation are located through a variational characterization using a…
We develop the theory for the Adiabatic Raman Photoassociation (ARPA) of ultracold atoms to form ultracold molecules in the presence of scattering resonances. Based on a computational method in which we replace the continuum with a discrete…
Reliable predictions of the static and dynamic properties of a nucleus require a fully microscopic description of both ground and excited states of this complicated many-body quantum system. Predictive calculations are key to understanding…
We present the frequency redistribution function for the polarized three-term atom of the $\Lambda$-type in the collisionless regime, and we specialize it to the case where both the initial and final terms of the three-state transition are…
We present results of the time blocking approximation (TBA) on giant resonances in light, medium and heavy mass nuclei. The TBA is an extension of the widely used random-phase approximation (RPA) adding complex configurations by coupling to…
The relativistic quasiparticle random phase approximation (RQRPA) is formulated in the canonical single-nucleon basis of the relativistic Hartree-Bogoliubov (RHB) model. For the interaction in the particle-hole channel effective Lagrangians…
The random phase approximation (RPA) to the correlation energy is extended to fractional occupations and its performance examined for exact conditions on fractional charges and fractional spins. RPA satisfies the constancy condition for…
The random phase approximation (RPA) is attracting renewed interest as a universal and accurate method for first-principles total energy calculations. The RPA naturally accounts for long-range dispersive forces without compromising accuracy…
The random phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange energy, represents the state-of-the-art exchange-correlation functional within density-functional theory (DFT). However, the standard…
The hole-state random phase approximation (hRPA) and the particle-state random phase approximation (pRPA) for systems like odd $A$ nuclei are discussed. These hRPA and pRPA are formulated based on the Hartree-Fock ground state. An extension…
Collective nuclear excitations, like giant resonances, are sensitive to nuclear deformation, as evidenced by alterations in their excitation energies and transition strength distributions. A common theoretical framework to study these…
The possibility of applying the Quasiparticle Tamm-Dancoff Approximation (QTDA) to describe the nuclear double beta decay is explored. Several serious inconveniences found in the Quasiparticle Random Phase Approximation (QRPA), such as: i)…
Molecular simulations are essential tools in computational chemistry, enabling the prediction and understanding of molecular interactions and thermodynamic properties of biomolecules. However, traditional force fields face significant…
Ultracold molecules can be associated from ultracold atoms by ramping the magnetic field through a Feshbach resonance. A reverse ramp dissociates the molecules. Under suitable conditions, more than one outgoing partial wave can be…
The isoscalar giant dipole resonance structure in $^{208}$Pb is calculated in the framework of a fully consistent relativistic random phase approximation, based on effective mean-field Lagrangians with nonlinear meson self-interaction…