Related papers: Restoring the Pauli principle in the random phase …
The random-phase approximation with second-order screened exchange (RPA+SOSEX) is a model of electron correlation energy with two caveats: its accuracy depends on an arbitrary choice of mean field, and it scales as $\mathcal{O}(n^5)$…
The consequences of enforcing permutational symmetry, as required by the Pauli principle (spin-statistical theorem), on the state space of molecular ensembles interacting with the quantized radiation mode of a cavity are discussed. The…
We study the ground state and the collective excitations of parabolically-confined double-layer quantum dot systems in a strong magnetic field. We identify parameter regimes where electrons form maximum density droplet states, quantum-dot…
The RPA long range correlations are known to play a significant role in understanding the depletion of single particle-hole states observed in (e, e') and (e, e'p) measurements. Here the Random Phase Approximation (RPA) theory, implemented…
In quantum chemistry, obtaining a system's mean-field solution and incorporating electron correlation in a post Hartree-Fock (HF) manner comprise one of the standard protocols for ground-state calculations. In principle, this scheme can…
We calculate ground state energies in the Brueckner-Hartree-Fock theory for $N$ electrons (with $N\le 20$) confined to a circular quantum dot and in presence of a static magnetic field. Comparison with the predictions of Hartree-Fock,…
A new electronic structure model is developed in which the ground state energy of a molecular system is given by a Hartree-Fock-like expression with parametrized one- and two-electron integrals over an extended (minimal + polarization) set…
The random phase approximation (RPA) has emerged as a prominent first-principles method in material science, particularly to study the adsorption and chemisorption of small molecules on surfaces. However, its widespread application is…
All matter is made up of fermions -- one of the fundamental type of particles in nature. Fermions follow the Pauli exclusion principle, stating that two or more identical fermions cannot occupy the same quantum state. Antisymmetry of the…
The Pauli equations describing electron (hole) dynamics in 2D Dirac-like intrinsic semiconductors in external (impurity) scalar potential and for inhomogeneous lattice distortions are obtained within second quantization approach. We show…
Efficient implementations of electronic structure methods are essential for first-principles modeling of molecules and solids. We here present a particularly efficient common framework for methods beyond semilocal density-functional theory,…
The random-phase approximation (RPA) is here applied to a two-orbital model for the BiS2-based superconductors that was recently proposed by Usui et al., arXiv:1207.3888. Varying the density of doped electrons per Bi site, n, in the range…
We consider atoms or molecules coupled to the quantized electromagnetic radiation field in a dipole approximation. We show the existence of ground states and resonance states in situations where the eigenvalues are degenerate and protected…
We present a comparative study of particle-hole and particle-particle channels of random-phase approximation (RPA) for molecular dissociations of different bonding types. We introduced a \textit{direct} particle-particle RPA scheme, in…
We present an analytical method for the two-qubit quantum Rabi model. While still operating in the frame of the generalized rotating-wave approximation (GRWA), our method further embraces the idea of introducing variational parameters. The…
We treat a system (a molecule or a solid) in which electrons are coupled linearly to any number and type of harmonic oscillators and which is further subject to external forces of arbitrary symmetry. With the treatment restricted to the…
The action of the long-range residual force on the expectation value of observables in the nuclear ground states is evaluated by finding optimal values for the coefficients of the canonical transformation which connects the phonon vacuum…
The Pauli Exclusion Principle (PEP) is one of the basic principles of modern physics and, even if there are no compelling reasons to doubt its validity, it is still debated today because an intuitive, elementary explanation is still…
The covariant particle-vibration coupling model within the time blocking approximation is employed to supplement the Relativistic Random Phase Approximation (RRPA) with coupling to collective vibrations. The Bethe-Salpeter equation in the…
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…