Related papers: Efficient Random Phase Approximation for Diradical…
Via evaluation of the Lyapunov exponent, we report the discovery of three prominent sets of phase space regimes of quasi-periodic orbits of charged particles trapped in a dipole magnetic field. Besides the low energy regime that has been…
A natural orbital functional for electronic systems with any value of the spin is proposed. This energy functional is based on a new reconstruction for the two-particle reduced density matrix (2RDM) of the multiplet, that is, of the mixed…
The status of different extensions of the Random Phase Approximation (RPA) is reviewed. The general framework is given within the Equation of Motion Method and the equivalent Green's function approach for the so-called Self-Consistent RPA…
The nuclear matrix elements $M^{0\nu}$ of the neutrinoless double beta decay ($0\nu\beta\beta$) of most nuclei with known $2\nu\beta\beta$-decay rates are systematically evaluated using the Quasiparticle Random Phase Approximation (QRPA)…
Recently, we have demonstrated that the problems finding a suitable adiabatic approximation in time-dependent one-body reduced density matrix functional theory can be remedied by introducing an additional degree of freedom to describe the…
A dressed-state perturbation theory beyond the rotating waveapproxi-mation (RWA) is presented to investigate the interaction between a two level electronic transition of the polar molecules and a quantized cavity field. Analytical…
The accurate electronic structure calculation for strongly correlated chemical systems requires an adequate description for both static and dynamic electron correlation, and is a persistent challenge for quantum chemistry. In order to…
Molecules that have been suggested to violate the Hund's rule, having a first excited singlet state (S$_1$) energetically below the triplet state (T$_1$), are rare. Yet, they hold the promise to be efficient light emitters. Their…
The overlap of the excited states in quasiparticle random-phase approximation (QRPA) is calculated in order to simulate the overlap of the intermediate nuclear states of the double-beta decay. Our basic idea is to use the like-particle QRPA…
This paper describes a method to do ab initio molecular dynamics in electronically excited systems within the random phase approximation (RPA). Using a dynamical variational treatment of the RPA frequency, which corresponds to the…
Random sequential addition (RSA) models are used in a large variety of contexts to model particle aggregation and jamming. A key feature of these models is the algebraic time dependence of the asymptotic jamming coverage as $t\to\infty$.…
We demonstrate that when two colliding nuclei approach each other, their quantum vibrations are damped near the touching point. We show that this damping is responsible for the fusion hindrance phenomena measured in the deep sub-barrier…
We study static correlation and delocalisation errors and show that even methods with good energies can yield significant delocalization errors that affect the density, leading to large errors in predicting {\em e.g.} dipole moments. We…
Three- and two-level mixing models are proposed to understand the doubling of states at the same spin and parity in triaxially-deformed atomic nuclei with odd numbers of protons and neutrons. The Particle-Rotor Model for such nuclei is…
Radiative corrections to processes that involve the production and subsequent decay of unstable particles are complex due to various theoretical and practical problems. The so-called double-pole approximation offers a way out of these…
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…
We point out an error in the argument [PRL 105, 013002 (2010)] that the time independence of the occupation numbers in the adiabatic approximation follows from the invariance of the ground-state interaction energy functional with respect to…
The connections between the Random Phase Approximation (RPA) and Many-Body Perturbation Theory (MBPT) and its all order generalisation, the Coupled- Cluster Theory (CCT) have been explored. Explicit expressions have been derived for the…
We use a spin-rotational invariant Gutzwiller energy functional to compute random-phase-approximation-like (RPA) fluctuations on top of the Gutzwiller approximation (GA). The method can be viewed as an extension of the previously developed…
The dipole approximation is employed to describe interactions between atoms and radiation. It essentially consists of neglecting the spatial variation of the external field over the atom. Heuristically, this is justified by arguing that the…