相关论文: Particle-number conservation within self-consisten…
We consider several spin-unrestricted random-phase approximation (RPA) variants for calculating correlation energies, with and without range separation, and test them on datasets of atomization energies and reaction barrier heights. We show…
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…
Filtering for stochastic reaction networks (SRNs) is an important problem in systems/synthetic biology aiming to estimate the state of unobserved chemical species. A good solution to it can provide scientists valuable information about the…
A novel approach is suggested for the statistical description of quantum systems of interacting particles. The key point of this approach is that a typical eigenstate in the energy representation (shape of eigenstates, SE) has a well…
We provide for the first time accurate assessments of the consequences of violations of self-consistency in the Hartree-Fock based random phase approximation (RPA) as commonly used to calculate the energy $E_c$ of the nuclear breathing…
We develop a new framework of the deformed quasiparticle-random-phase approximation (QRPA) where the Skyrme density functional and the density-dependent pairing functional are consistently treated. Numerical applications are carried out for…
The measured occupancies of valence orbits in $^{76}$Ge and $^{76}$Se are used as a guideline for modification of the effective mean field energies that results in better description of these quantities. With them, in combination with the…
Within the Energy Density Functional (EDF) approach, the use of mean-field wave-functions deliberately breaking (some) symmetries of the underlying Hamiltonian is an efficient and largely utilized way to incorporate static correlations.…
We study the correlation energy associated with the pair fluctuations in BCS theory. We use a schematic two-level pairing model and discuss the behavior of the correlation energy across shell closures, including the even-odd differences. It…
We explore several random phase approximation (RPA) correlation energy variants within the adiabatic-connection fluctuation-dissipation theorem approach. These variants differ in the way the exchange interactions are treated. One of these…
A generalized RPA formalism is presented which treats pp and ph correlations on an equal footing. The effect of these correlations on the single-particle Green function is discussed and it is demonstrated that a self-consistent treatment of…
The high-spin rotational bands in odd-$Z$ nuclei $^{159}$Ho ($Z=67$) are investigated using the cranked shell model with the pairing correlations treated by a particle-number conserving method, in which the blocking effects are taken into…
This paper proposes and validates two new particle regularization techniques for the Smoothed Particle Hydrodynamics (SPH) numerical method to improve its stability and accuracy for free surface flow simulations. We introduce a general form…
The relativistic proton-neutron quasiparticle random phase approximation (PN-RQRPA) is applied in the calculation of beta-decay half-lives of neutron-rich nuclei in the $Z\approx 28$ and $Z\approx 50$ regions. The study is based on the…
In this thesis the two-particle-irreducible (2PI) formalism is investigated with several applications, particular emphasis on renormalizability. In the O(N) symmetric scalar quantum field theory formulated with auxiliary fields it is…
It has been revealed through numerical calculations that the Second Random Phase Approximation (SRPA) with the Hartree-Fock solution as its reference state results in 1) spurious states at genuinely finite energy, contrary to common…
The random phase approximation (RPA) is exact for the exchange energy of a many-electron ground state, but RPA makes the correlation energy too negative by about 0.5 eV/electron. That large short-range error, which tends to cancel out of…
The accuracy of the Faddeev random phase approximation (FRPA) method is tested by calculating the total and ionization energies of a set of light atoms up to Ar. Comparisons are made with the results of coupled-cluster singles and doubles…
The many-body theory of interacting electrons poses an intrinsically difficult problem that requires simplifying assumptions. For the determination of electronic screening properties of the Coulomb interaction, the Random Phase…
We derive a set of rotationally covariant amplitude equations for use in multiscale simulation of the two dimensional phase field crystal (PFC) model by a variety of renormalization group (RG) methods. We show that the presence of a…