Related papers: Variational occupation numbers to a M\"uller-type …
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…
In this paper we compute exactly the ground state energy and entropy of the dilute ferromagnetic Ising model. The two thermodynamic quantities are also computed when a magnetic field with random locations is present. The result is reached…
As shown by Overhauser and others, accurate pair densities for the uniform electron gas may be found by solving a two-electron scattering problem with an effective screened electron-electron repulsion. In this work we explore the extension…
The ground state energy of the two--dimensional uniform electron gas has been calculated with fixed--node diffusion Monte Carlo, including backflow correlations, for a wide range of electron densities as a function of spin polarization. We…
A model is developed, based on the density functional perturbation theory and the inverse Kohn-Sham method, that can be used to improve relativistic nuclear energy density functionals towards an exact but unknown Kohn-Sham…
We extend first-order multiconfigurational symmetry-adapted perturbation theory, SAPT(MC), [Hapka M. et al. JCTC, 2021, 17], to account for double-exchange effects, where up to two electron pairs are exchanged between interacting monomers.…
We study one-dimensional systems of $N$ particles in a one-dimensional harmonic trap with an inverse power law interaction $\sim|x|^{-d}$. Within the framework of the harmonic approximation we derive, in the strong interaction limit, the…
In this work, we review and analyze both the theoretical and numerical aspects of strongly and weakly coupled thermoelastic systems. By employing spectral analysis techniques and establishing uniform resolvent estimates, we derive uniform…
Thermodynamic extensivity is commonly introduced as a postulate -- the homogeneity of degree one in thermodynamic potentials. We provide a constructive derivation of this property from microscopic conditions on the pair potential, without…
The mixed states are important in quantum optics since they frequently appear in the decoherence problems. When one of the components of the system is prepared in the mixed state and the evolution operator of this system is not available,…
We report in this paper an implementation of 4-component relativistic Hamiltonian based Equation-of-Motion Coupled-Cluster with singles and doubles (EOM-CCSD) theory for the calculation of ionization potential (IP), electron affinity (EA)…
In this paper, we construct a type of interacting particle systems to approximate a class of stochastic different equations whose coefficients depend on the conditional probability distributions of the processes given partial observations.…
The most widely-used density functionals for the exchange-correlation energy are inexact for one-electron systems. Their self-interaction errors can be severe in some applications. The problem is not only to correct the self-interaction…
Our goal is to clarify the relation between entanglement and correlation energy in a bipartite system with infinite dimensional Hilbert space. To this aim we consider the completely solvable Moshinsky's model of two linearly coupled…
We review the recently introduced thermodynamic form factors for pairs of particle-hole excitations on finite-entropy states in the Lieb-Liniger model. We focus on the density operator and we show how the form factors can be used for…
We apply the Lang-Firsov (LF) transformation to electron-boson coupled Hamiltonians and variationally optimize the transformation parameters and molecular orbital coefficients to determine the ground state. M\o{}ller-Plesset (MP-$n$, with…
We derive and analyze a hierarchy of approximations to the strongly correlated limit of the Hohenberg-Kohn functional. These "density representability approximations" are obtained by first noting that in the strongly correlated limit,…
Dynamic Hubbard models have been proposed as extensions of the conventional Hubbard model to describe the orbital relaxation that occurs upon double occupancy of an atomic orbital. These models give rise to pairing of holes and…
We discuss a nonlinear model for the relaxation by energy redistribution within an isolated, closed system composed of non-interacting identical particles with energy levels e_i with i=1,2,...,N. The time-dependent occupation probabilities…
Coupled elliptic quantum dots with different aspect ratios containing up to two electrons are studied using a model confinement potential in the presence of magnetic fields. Single and two particle Schroedinger equations are solved using…