Related papers: Improving perturbation theory for open-shell molec…
We present an efficient numerical method for simulating the low-energy properties of disordered many-particle systems. The method which is based on the quantum-chemical configuration interaction approach consists in diagonalizing the…
We propose a new method to solve the Hartree-Fock-Bogoliubov equations for weakly bound nuclei whose purpose is to improve the treatment of the continuum when a finite range two-body interaction is used. We replace the traditional expansion…
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 present the reaction-coordinate polaron-transform (RCPT) framework for generating effective Hamiltonian models to treat nonequilibrium open quantum systems at strong coupling with their surroundings. Our approach, which is based on two…
The symmetry-projected Hartree--Fock ansatz for the electronic structure problem can efficiently account for static correlation in molecules, yet it is often unable to describe dynamic correlation in a balanced manner. Here, we consider a…
We have developed a couple of optimal damping algorithms (ODAs) for unrestricted Hartree-Fock (UHF) calculations of open-shell molecular systems. A series of equations were derived for both concurrent and alternate constructions of alpha-…
An explicit high-order noncanonical symplectic algorithm for ideal two-fluid systems is developed. The fluid is discretized as particles in the Lagrangian description, while the electromagnetic fields and internal energy are treated as…
The one-dimensional harmonic oscillator in a box problem is possibly the simplest example of a two-mode system. This system has two exactly solvable limits, the harmonic oscillator and a particle in a (one-dimensional) box. Each of the two…
We present second-order molecular cluster perturbation theory (MCPT(2)), a linear scaling methodology to calculate arbitrarily large systems with explicit calculation of individual wavefunctions in a coupled-cluster framework. This new…
We employ a port-Hamiltonian approach to model nonlinear rigid multibody systems subject to both position and velocity constraints. Our formulation accommodates Cartesian and redundant coordinates, respectively, and captures kinematic as…
Isorotating ${\mathbb C}P^2$ Q-solitons in $2+1$ dimensions were studied. Hamiltonian formalism as a more physically meaningful yet fairly demanding approach was adopted during the investigation, which helped to exclude unobservable…
Hamiltonian perturbations of the simplest hyperbolic equation $u_t + a(u) u_x=0$ are studied. We argue that the behaviour of solutions to the perturbed equation near the point of gradient catastrophe of the unperturbed one should be…
An perturbation-iteration method is developed for the computation of the Hermite-Gaussian-like solitons with arbitrary peak numbers in nonlocal nonlinear media. This method is based on the perturbed model of the Schr\"{o}dinger equation for…
We consider a Hamiltonian system with 2 degrees of freedom, with a hyperbolic equilibrium point having a loop or homoclinic orbit (or, alternatively, two hyperbolic equilibrium points connected by a heteroclinic orbit), as a step towards…
We propose an effective lattice Hamiltonian for monolayer MoS$_2$ in order to describe the low-energy band structure and investigate the effect of perpendicular electric and magnetic fields on its electronic structure. We derive a…
Nonequilibrium statistical models of point vortex systems are constructed using an optimal closure method, and these models are employed to approximate the relaxation toward equilibrium of systems governed by the two-dimensional Euler…
We introduce an orbital-optimized double-hybrid (DH) scheme using the optimized-effective-potential (OEP) method. The orbitals are optimized using a local potential corresponding to the complete exchange-correlation energy expression…
We introduce a generic approach to study interaction effects in diffusive or chaotic quantum dots in the Coulomb blockade regime. The randomness of the single-particle wave functions induces randomness in the two-body interaction matrix…
We study a system of a quantum particle interacting with a singular time-dependent uniformly rotating potential in 2 and 3 dimensions: in particular we consider an interaction with support on a point (rotating point interaction) and on a…
While it is known that Hamiltonian systems may undergo a phenomenon of condensation akin to Bose-Einstein condensation, not all the manifestations of this phenomenon have been uncovered yet. In this work we present a novel form of…