Related papers: Spin-unrestricted random-phase approximation with …
We report the first three-dimensional wavevector analysis of the jellium exchange-correlation (xc) surface energy in the random-phase approximation (RPA). The RPA accurately describes long-range xc effects which are challenging for…
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…
Self-consistent relativistic random-phase approximation (RPA) in the radial coordinate representation is established by using the finite amplitude method (FAM). Taking the isoscalar giant monopole resonance in spherical nuclei as example,…
We present an approximation scheme for the calculation of the principal excitation energies and transition moments of finite many-body systems. The scheme is derived from a first order approximation to the self energy of a recently proposed…
We develop and implement a formalism which enables calculating the analytical gradients of particle-hole random-phase approximation (RPA) ground-state energy with respect to the atomic positions within the atomic orbital basis set…
We investigate fractional-charge and fractional-spin errors in range-separated density-functional theory. Specifically, we consider the range-separated hybrid (RSH) method which combines long-range Hartree-Fock (HF) exchange with a…
We present a new method to obtain interaction part of a model Hamiltonian from the result of the first-principles calculation. The effective interaction contained in the model is determined based on the random phase approximation (RPA). In…
The Self-Consistent RPA (SCRPA) equations in the particle-particle channel are solved without any approximation for the picket fence model. The results are in excellent agreement with the exact solutions found with the Richardson method.…
In this work, we consider the particle-hole random phase approximation (phRPA), an approximation to the correlation energy in electronic structure, and show that the phRPA energy of the H2 molecule correctly dissociates. That is, as the…
Range separated hybrid density functionals are very successful in describing a wide range of molecular and solid state properties accurately. Range separated hybrid functionals are designed from spherically averaged or system averaged…
This paper is concerned with classes of models of stochastic reaction dynamics with time-scales separation. We demonstrate that the existence of the time-scale separation naturally leads to the application of the averaging principle and…
The recent major modification, r$^2$SCAN, of the SCAN (strongly constrained and appropriately normed) meta-GGA exchange-correlation functional is shown to give substantially better spin-crossover electronic energies (high spin minus low…
By coupling a doorway state to a see of random background states, we develop the theory of doorway states in the framework of the random-phase approximation (RPA). Because of the symmetry of the RPA equations, that theory is radically…
The nuclear symmetry energy calculated in the RPA from the pairing plus symmetry force Hamiltonian with equidistant single-nucleon levels is for mass number A=48 approximately proportional to T(T+1.025), where T is the isospin quantum…
We obtain the RPA summed one-meson exchange potential between nucleons in symmetric nuclear matter at zero temperature, from a model which includes $\rho $, $\sigma $, $\omega $ and $\pi $ mesons. The behavior of rho mesons inside the…
We propose a staggered mesh method for correlation energy calculations of periodic systems under the random phase approximation (RPA), which generalizes the recently developed staggered mesh method for periodic second order…
Self-consistent random phase approximation (RPA) approaches in the relativistic framework are applied to calculate the isospin symmetry-breaking corrections $\delta_c$ for the $0^+\to0^+$ superallowed transitions. It is found that the…
Direction of arrival (DOA) estimation in array processing using uniform/sparse linear arrays is concerned in this paper. While sparse methods via approximate parameter discretization have been popular in the past decade, the discretization…
We performed density functional calculations to estimate the formation energies of intermetallic alloys. We used two semilocal approximations, the generalized gradient approximation (GGA) by Perdew-Burke-Ernzerhof (PBE) and the strongly…
A systematic analysis of giant quadrupole resonances is performed for several nuclei, from $^{30}$Si to $^{208}$Pb, within the subtracted second random--phase--approximation (SSRPA) model in the framework of the energy--density--functional…