Related papers: Improving perturbation theory for open-shell molec…
A microscopic quantum ideal rotor-model Hamiltonian (distinct from that of Bohr's rotational model) is derived for a rotation about a single axis by applying a dynamic rotation operator to the deformed nuclear ground-state wavefunction. It…
We present a detailed analysis of the orbital stability of the Pais-Uhlenbeck oscillator, using Lie-Deprit series and Hamiltonian normal form theories. In particular, we explicitly describe the reduced phase space for this Hamiltonian…
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…
We present a method to calculate many-body states of interacting carriers in million atom quantum nanostructures based on atomistic tight-binding calculations and a combination of iterative selection of configurations and perturbation…
The envelope theory is a method to compute approximate eigensolutions of quantum $N$-body Hamiltonians with a quite general structure in $D$ dimensions. The advantages of the method are that it is easy to implement and that $N$ is treated…
A one-dimensional harmonic oscillator in a box is used to introduce the oblique-basis concept. The method is extended to the nuclear shell model by combining traditional spherical states, which yield a diagonal representation of the usual…
We introduce a systematic framework to derive the effective Hamiltonian governing the coherent dynamics of non-Markovian open quantum systems. By applying the minimal dissipation principle, we uniquely isolate the coherent contribution to…
Perturbative schemes utilizing a spectral moment expansion are well known and extensively used for investigating the physics of model Hamiltonians and real material systems. The advantages they offer, in terms of being computationally…
We investigate performing classical and quantum metrology and parameter estimation by using interacting trapped bosons, which we theoretically treat by a self-consistent many-body approach of the multiconfigurational Hartree type. Focusing…
Higher-order exceptional points in the spectrum of non-Hermitian Hamiltonians describing open quantum or wave systems have a variety of potential applications in particular in optics and photonics. However, the experimental realization is…
We present a density matrix approach for computing global solutions of restricted open-shell Hartree-Fock theory, based on semidefinite programming (SDP), that gives upper and lower bounds on the Hartree-Fock energy of quantum systems.…
Using a separable many-body variational wavefunction, we formulate a self-consistent effective Hamiltonian theory for fermionic many-body system. The theory is applied to the two-dimensional Hubbard model as an example to demonstrate its…
In this paper a multi-band envelope-function Hamiltonian for lattice-matched semiconductor heterostructures is derived from first-principles norm-conserving pseudopotentials. The theory is applicable to isovalent or heterovalent…
Adaptive perturbation is a new method for perturbatively computing the eigenvalues and eigenstates of quantum mechanical Hamiltonians that heretofore were not believed to be obtainable by such methods. The novel feature of adaptive…
We developed a Keplerian-based Hamiltonian splitting for solving the gravitational $N$-body problem. This splitting allows us to approximate the solution of a general $N$-body problem by a composition of multiple, independently evolved…
We propose an exactly soluble W*-dynamical system generated by repeated harmonic perturbations of the one-mode quantum oscillator. In the present paper we deal with the case of isolated system. Although dynamics is Hamiltonian and…
We present a theory of resonances for a class of non-autonomous Hamiltonians to treat the structural instability of spatially localized and time-periodic solutions associated with an unperturbed autonomous Hamiltonian. The mechanism of…
We use the method of invariants to derive one- and two-band effective Hamiltonians of a noncentrosymmetric two-dimensional electron gas, in the presence of magnetic field. A complete classification of the antisymmetric spin-orbit and…
In this paper, we consider a class of highly oscillatory Hamiltonian systems which involve a scaling parameter $\varepsilon\in(0,1]$. The problem arises from many physical models in some limit parameter regime or from some time-compressed…
We analyze a system of two colliding ultracold atoms under strong harmonic confinement from the viewpoint of quantum defect theory and formulate a generalized self-consistent method for determining the allowed energies. We also present two…