Related papers: Efficient Implementation of the Random Phase Appro…
The finite basis set errors for all-electron random-phase approximation (RPA) correlation energy calculations are analyzed for isolated atomic systems. We show that, within the resolution-of-identity (RI) RPA framework, the major source of…
The random-phase-approximation (RPA) method with separable residual forces (SRPA) is proposed for the description of multipole electric oscillations of valence electrons in deformed alkali metal clusters. Both the deformed mean field and…
We present an approximation scheme of the nonperturbative renormalization group that preserves the momentum dependence of correlation functions. This approximation scheme can be seen as a simple improvement of the local potential…
Second RPA (SRPA) calculations of nuclear response are performed and analyzed. Unlike in most other SRPA applications, the ground state, approximated by the Hartree-Fock (HF) ground state, and the residual couplings are described by the…
A novel method based on pulse area analysis(PAA) was presented for acquisition nuclear spectrum by the digitizer. PAA method can be used as a substitute for the traditional method of pulse height analysis (PHA). In the PAA method a…
In non-self-consistent calculations of the total energy within the random-phase approximation (RPA) for electronic correlation, it is necessary to choose a single-particle Hamiltonian whose solutions are used to construct the electronic…
We investigate collective multipole excitations for closed shell nuclei from 16O to 208Pb using correlated realistic nucleon -nucleon interactions in the framework of the random phase approximation (RPA). The dominant short-range central…
High Power Laser's (HPL) optimal performance is essential for the success of a wide variety of experimental tasks related to light-matter interactions. Traditionally, HPL parameters are optimised in an automated fashion relying on black-box…
The projected oscillator orbitals (pOOs) are localized virtual orbitals constructed by multiplying localized occupied orbitals by harmonics. Following a recent paper by Mussard and \'Angy\'an (Theor Chem Acc 134:1, 2015), further…
We present a method to obtain response functions in the random phase approximation (RPA) based on a residual interaction described in terms of Landau parameters with central plus tensor contributions. The response functions keep the…
We introduce an orbital-optimized double-hybrid (DH) scheme using the optimized-effective-potential (OEP) method. The orbitals are optimized using a local potential corresponding to the complete exchange-correlation energy expression…
We present an efficient algorithm for one- and two-component relativistic exact-decoupling calculations. Spin-orbit coupling is thus taken into account for the evaluation of relativistically transformed (one-electron) Hamiltonian. As the…
Estimating the rate of rare conformational changes in molecular systems is one of the goals of Molecular Dynamics simulations. In the past decades, a lot of progress has been done in data-based approaches towards this problem. In contrast,…
The relativistic random-phase approximation (RRPA) plus phonon-coupling (PC) model is applied in the analysis of E1 strength distributions in $^{208}$Pb and $^{132}$Sn, for which data on pygmy dipole resonances (PDR) have recently been…
In a previous work we developed a convex infinite dimensional linear programming (LP) approach to approximating the region of attraction (ROA) of polynomial dynamical systems subject to compact basic semialgebraic state constraints. Finite…
A fully self-consistent renormalized random-phase approximation is constructed based on the self-consistent Hartree-Fock mean field plus exact pairing solutions (EP). This approach exactly conserves the particle number and restores the…
A widely used strategy to reduce the computational cost in quantum-chemical calculations is to partition the system into an active subsystem, which is the focus of the computational efforts and an environment that is treated at a lower…
The natural orbital functional theory (NOFT) has emerged as an alternative formalism to both density functional (DF) and wavefunction methods. In NOFT, the electronic structure is described in terms of the natural orbitals (NOs) and their…
The optimized effective potential (OEP) method is a promising technique for calculating the ground state properties of a system within the density functional theory. However, it is not widely used as its computational cost is rather high…
This study presents a real-time energy management framework for hybrid community microgrids integrating photovoltaic, wind, battery energy storage systems, diesel generators, and grid interconnection. The proposed approach formulates the…