Related papers: Systematically Improvable Excitonic Hamiltonians f…
In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…
The calculations of electronic transport coefficients and optical properties require a very dense interpolation of the electronic band structure in reciprocal space that is computationally expensive and may have issues with band crossing…
Classical integrable Hamiltonian systems generated by elements of the Poisson commuting ring of spectral invariants on rational coadjoint orbits of the loop algebra $\wt{\gr{gl}}^{+*}(2,{\bf R})$ are integrated by separation of variables in…
Simulation of quantum chemistry is expected to be a principal application of quantum computing. In quantum simulation, a complicated Hamiltonian describing the dynamics of a quantum system is decomposed into its constituent terms, where the…
The recently proposed excitonic renormalization framework presents an alternative ansatz to elec- tronic structure theory of weakly interacting fragments. It makes use of absolutely localized orbitals and correlated states evaluated on…
We present a model of electron transport through a random distribution of interacting quantum dots embedded in a dielectric matrix to simulate realistic devices. The method underlying the model depends only on fundamental parameters of the…
A general formalism of the problem of perfect state transfer is presented. We show that there are infinitely many Hamiltonians which may provide solution to this problem. In a first attempt to give a classification of them we investigate…
We suggest an efficient method to resolve electronic cusps in electronic structure calculations by using an effective transcorrelated Hamiltonian. This effective Hamiltonian takes a simple form for plane wave bases, containing up to…
By using the properties of orthogonal polynomials, we present an exact unitary transformation that maps the Hamiltonian of a quantum system coupled linearly to a continuum of bosonic or fermionic modes to a Hamiltonian that describes a…
We propose a new driving scheme, when different parts of a system are driven with different, generally incommensurate, frequencies. Such driving provides a flexible handle to control various properties of the system and to obtain new types…
In the strong electron-electron (e-e) interaction limit each atomic site is constrained to be either empty or singly occupied. One can treat this scenario by fractionalizing the electrons into spin and charge degrees of freedom. We use the…
The exact solution of Schrodinger equation for atoms, molecules and extended systems continues to be a "Holy Grail" problem that the entire field has been striving to solve since its inception. Recently, breakthroughs have been made in the…
We present a way of partly reincorporate the effects of the localized bonding electrons on the dynamics of their itinerant counterparts in Hubbard-like Hamiltonians. This is done by relaxing the constraint that the former should be entirely…
Accurate modeling of driven light-matter interactions is essential for quantum technologies, where natural and synthetic atoms are used to store and process quantum information, mediate interactions between bosonic modes, and enable…
Perturbation theory with respect to the kinetic energy of the heavy component of a two-component quantum system is introduced. An effective Hamiltonian that is accurate to second order in the inverse heavy mass is derived. It contains a new…
We construct a Hamiltonian whose dynamics simulate the dynamics of every other Hamiltonian up to exponentially long times in the system size. The Hamiltonian is time-independent, local, one-dimensional, and translation invariant. As a…
The intraband electromagnetic transitions in the framework of collective Hamiltonian for chiral and wobbling modes are calculated. By going beyond the mean field approximation on the orientations of rotational axis, the collective…
The goal of the present account is to review our efforts to obtain and apply a ``collective'' Hamiltonian for a few, approximately decoupled, adiabatic degrees of freedom, starting from a Hamiltonian system with more or many more degrees of…
We propose a refined scheme of deriving an effective low-energy Hamiltonian for materials with strong electronic Coulomb correlations beyond density functional theory (DFT). By tracing out the electronic states away from the target degrees…
We present a systematic derivation of effective lattice spin Hamiltonians derived from a rotationally invariant multi-orbital Hubbard model including a term ensuring Hund's rule coupling. The Hamiltonians are derived down-folding the…