Related papers: DFT2kp: effective kp models from ab-initio data

We consider Lorentzian CFT Wightman functions in momentum space. In particular, we derive a set of reference formulas for computing two- and three-point functions, restricting our attention to three-point functions where the middle operator…

A recently proposed approach for performing electronic-structure calculations on crystalline insulators in terms of localized orthogonal orbitals is applied to the oxides of lithium and sodium, Li2O and Na2O. Cohesive energies, lattice…

We present a recursive formula for the computation of the static effective Hamiltonian of a system under a fast-oscillating drive. Our analytical result is well-suited to symbolic calculations performed by a computer and can be implemented…

We propose introducing an extended Hubbard Hamiltonian derived via the ab initio downfolding method, which was originally formulated for periodic materials, towards efficient quantum computing of molecular electronic structure calculations.…

Efficient sampling from ensembles of Hamiltonian cycles is critical for predicting the thermodynamic properties of compact polymers, with applications including modeling protein and RNA folding and designing soft materials. Although…

Advancements in theoretical and algorithmic approaches, workflow engines, and an ever-increasing computational power have enabled a novel paradigm for materials discovery through first-principles high-throughput simulations. A major…

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…

The renormalization of the effective QCD-Hamiltonian theory for the quark-antiquark channel is performed in terms of a renormalized or fixed-point Hamiltonian that leads to subtracted dynamical equations. The fixed point-Hamiltonian brings…

The dynamics of classical and quantum systems which are driven by a high frequency ($\omega$) field is investigated. For classical systems the motion is separated into a slow part and a fast part. The motion for the slow part is computed…

The discretization approximation method commonly used to simulate the dynamics of quantum system coupled to the environment in continuum often suffers from the periodically partial recovery of initial state because of the effect of finite…

Effective Hamiltonians for LaFeAsO and LaFePO are derived from the downfolding scheme based on first-principles calculations and provide insights for newly discovered superconductivity in the family of LnFeAsO$_{1-x}$F$_x$, Ln = La, Ce, Pr,…

In the present paper we examine in a systematic way the most relevant orderings of pure kinetic Hamiltonians for five different position-dependent mass (PDM) profiles: soliton-like, reciprocal quadratic and biquadratic, exponential and…

We present a new machine learning technique which calculates a real-valued, time independent, finite dimensional Hamiltonian matrix from only experimental data. A novel cost function is given along with a proof that the cost function has…

We study 2d Ising Field Theory (IFT) in the low-temperature phase in lightcone quantization, and show that integrating out zero modes generates a very compact form for the effective lightcone interaction that depends on the finite volume…

We use a version of the instant-form relativistic quantum mechanics of composite systems to obtain the gravitational form factors of the pion in a common approach to its electroweak and gravitational properties. In the preceding work…

Effective Hamiltonians are usually constructed by using canonical transformations or projection techniques. In contrast to this, we present a method for systems with arbitrary Hilbert space based on the introduction of cumulants. Cumulants…

We discuss the construction of low-energy tight-binding Hamiltonians for condensed matter systems with a strong coupling to the quantum electromagnetic field. Such Hamiltonians can be obtained by projecting the continuum theory on a given…

We construct an effective low-energy Hamiltonian from the classical action via Monte Carlo with importance sampling. We use Monte Carlo (i) to compute matrix elements of the transition amplitude and (ii) to construct stochastically a basis.…

We utilize generalized unitarity and recursion relations combined with effective field theory(EFT) techniques to compute spin dependent interaction terms for inspiralling binary systems in the post newtonian(PN) approximation. Using these…

These lectures describe in detail the effective Hamiltonians for weak decays of mesons constructed by means of the operator product expansion and the renormalization group method. We calculate Wilson coeffcients of local operators, discuss…