Related papers: Efficient Random Phase Approximation for Diradical…
We study one dimensional models of diatomic molecules where both the electrons and nuclei are treated as quantum particles, going beyond the usual Born-Oppenheimer approximation. The continuous system is approximated by a grid which…
Semiempirical molecular orbital (SEMO) models based on the neglect of diatomic differential overlap (NDDO) approximation efficiently solve the self-consistent field equations by rather drastic approximations. The computational efficiency…
A nonlinear description of the interaction of charged particles penetrating a solid has become of basic importance in the interpretation of a variety of physical phenomena. Here we develop a many-body theoretical approach to the quadratic…
We developed an efficient active-space particle-particle random phase approximation (ppRPA) approach to calculate accurate charge-neutral excitation energies of molecular systems. The active-space ppRPA approach constrains both indexes in…
We use the Random Dispersion Approximation (RDA) to study the Mott-Hubbard transition in the Hubbard model at half band filling. The RDA becomes exact for the Hubbard model in infinite dimensions. We implement the RDA on finite chains and…
We formulate an adiabatic connection for the exchange-correlation energy in terms of pairing matrix fluctuation. This connection opens new channels for density functional approximations based on pairing interactions. Even the simplest…
We present a low-scaling algorithm for the random phase approximation (RPA) with \textbf{k}-point sampling in the framework of tensor hypercontraction (THC) for electron repulsion integrals (ERIs). The THC factorization is obtained via a…
In this paper we show that the proton-neutron residual interaction can play an important role in the reliability of calculated $\beta$-decay half-lives. It may also improve the prediction power of the quasiparticle random phase…
We propose a parameter-free scheme of calculation of the orbital polarization (OP) in metals, which starts with the strong-coupling limit for the screened Coulomb interactions in the random-phase approximation (RPA). For itinerant magnets,…
Exact results of pair transfer probabilities for the Richardson model with equidistant or random level spacing are presented. The results are then compared either to particle-particle random phase approximation (ppRPA) in the normal phase…
Limitations of the Quasiparticle Random Phase Approximation (QRPA) are studied within an exactly solvable model, with a two body interaction of Fermi type. A special attention is paid to the violation of the Pauli exclusion principle (PEP)…
The iterative quasi-particle-random-phase approximation (QRPA) method we previously developed to accurately calculate properties of individual nuclear states is extended so that it can be applied for nuclei with odd numbers of neutrons and…
We investigate static correlation and delocalization errors in the self-consistent GW and random-phase approximation (RPA) by studying molecular dissociation of the H_2 and LiH molecules. Although both approximations contain topologically…
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…
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…
A random-phase approximation (RPA) treatment of edge magnetoplasmons (EMP) is presented for strong magnetic fields, low temperatures, and integer filling factors \nu. It is valid for negligible dissipation and lateral confining potentials…
We develop a second order correction to commonly used density functional approximations (DFA) to eliminate the systematic delocalization error. The method, based on the previously developed global scaling correction (GSC), is an exact…
Common signal-processing approximations produce artefacts when timing pulsars in relativistic binary systems, especially edge-on systems with tight orbits, such as the Double Pulsar. In this paper, we use extensive simulations to explore…
With increasing inter-electronic distance, the screening of the electron-electron interaction by the presence of other electrons becomes the dominant source of electron correlation. This effect is described by the random phase approximation…
A microscopic formalism is developed that includes the coupling to two particle-hole phonons in the particle-hole propagator by extending the dressed random phase approximation (DRPA) equation for a finite system. The resulting formalism is…