Related papers: Symmetry conserving Coupled Cluster Doubles wave f…
The random phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange energy, represents the state-of-the-art exchange-correlation functional within density-functional theory (DFT). However, the standard…
We report an improved implementation for evaluating the analytical gradients of the random phase approximation (RPA) electron-correlation energy based on atomic orbitals and the localized resolution of identity scheme. The more efficient…
Practical applications of fragment embedding and closely related local correlation methods critically depend on a judicious choice of a low-level theory to define the local embedding subspace and to capture long-range electrostatic and…
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 propose a practicable method for describing linear dynamics of different finite Fermi systems. The method is based on a general self-consistent procedure for factorization of the two-body residual interaction. It is relevant for diverse…
Among the interesting outcomes of the study of the physical applications of spectral singularities in PT-symmetric optical systems is the discovery of CPA-lasers. These are devices that act both as a threshold laser and a coherent perfect…
We show that it is possible to restore the symmetry associated with the Goldstone mode within the Self Consistent Random Phase Approximation (SCRPA) applied to the three-level Lipkin model. We determine one and two-body densities as very…
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…
Linear response approach to the relativistic coupled-cluster (RCC) theory has been extended to estimate contributions from the parity and time-reversal violating pseudoscalar-scalar (Ps-S) and scalar-pseudoscalar (S-Ps) electron-nucleus…
Strange correlators are useful tools for diagnosing symmetry-protected topological states from their bulk wave functions. We study strange correlators for one-dimensional fermionic symmetry-protected topological states using fixed-point…
Within the 1D Hubbard model linear closed chains with various numbers of sites are considered in Self Consistent Random Phase Approximation (SCRPA). Excellent results with a minimal numerical effort are obtained for 2+4n sites cases,…
The Green's function method in the \emph{Quasiparticle Time Blocking Approximation} is applied to nuclear excitations in $^{132}$Sn and $^{208}$Pb. The calculations are performed self-consistently using a Skyrme interaction. The method…
In this study, the performance of the doubles-corrected higher random-phase approximation (HRPA(D)) has been investigated in calculations of NMR spin-spin coupling constants (SSCCs) for 58 molecules with the experimental values used as the…
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…
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)…
It is shown that the Self-Consistent RPA (SCRPA) approach allows in a very natural way to restore symmetries, spontaneously broken on the mean field level. This is achieved via the introduction of a second Lagrange multiplier which…
A relativistic version of the coupled-cluster single-double (CCSD) method is developed for atoms with a single valence electron. In earlier work, a linearized version of the CCSD method (with extensions to include a dominant class of triple…
In this paper, we report on the implementation of the EOM spin-flip (SF), ionization-potential (IP) and electron-affinity (EA) coupled cluster singles doubles (CCSD) methods for atoms and molecules in strong magnetic fields for energies as…
This paper is devoted to the numerical symplectic approximation of the charged-particle dynamics (CPD) with arbitrary electromagnetic fields. By utilizing continuous-stage methods and exponential integrators, a general class of symplectic…
Electronic resonances are metastable states with finite lifetimes, encountered in processes such as photodetachment, electron transmission, and Auger decay. Resonances appear in Hermitian quantum mechanics as increased density of states in…