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A degenerate perturbation $k\cdot p$ approach for effective mass calculations is implemented in the all-electron density functional theory (DFT) package WIEN2k. The accuracy is tested on major group IVA, IIIA-VA, and IIB-VIA semiconductor…

Materials Science · Physics 2022-01-06 Oleg Rubel , Fabien Tran , Xavier Rocquefelte , Peter Blaha

We model quasi-two-dimensional two-electron Quantum Dots in a parabolic confinement potential with rovibrational and purely vibrational effective Hamiltonian operators. These are optimized by non-linear least-square fits to the exact energy…

Mesoscale and Nanoscale Physics · Physics 2017-04-27 Torsten Victor Zache , Aniruddha Chakraborty

By splitting a Hamiltonian into two parts, using the solvability of eigenvalue problem of one part of the Hamiltonian, proving a useful identity and deducing an expansion formula of power of operator binomials, we obtain an explicit and…

Quantum Physics · Physics 2007-05-23 An Min Wang

For slow--fast quantum systems, we compute first corrections to the quantum action and to the effective slow Hamiltonian.

Mathematical Physics · Physics 2014-04-09 M. Karasev

We prove an adiabatic theorem for the evolution of spectral data under a weak additive perturbation in the context of a system without an intrinsic time scale. For continuous functions of the unperturbed Hamiltonian the convergence is in…

Mathematical Physics · Physics 2007-05-23 Alexander Elgart , Jeffrey H. Schenker

In the q-deformed theory the perturbation approach can be expressed in terms of two pairs of undeformed position and momentum operators. There are two configuration spaces. Correspondingly there are two q-perturbation Hamiltonians, one…

High Energy Physics - Theory · Physics 2011-09-13 Jian-zu Zhang

We propose a general variational fermionic many-body wavefunction that generates an effective Hamiltonian in a quadratic form, which can then be exactly solved. The theory can be constructed within the density functional theory framework,…

Strongly Correlated Electrons · Physics 2020-10-30 Xindong Wang , Xiao Chen , Liqin Ke , Hai-Ping Cheng , B. N. Harmon

We explore the possibility of calculating electronic excited states by using perturbation theory along a range-separated adiabatic connection. Starting from the energies of a partially interacting Hamiltonian, a first-order correction is…

Chemical Physics · Physics 2014-12-15 Elisa Rebolini , Julien Toulouse , Andrew M. Teale , Trygve Helgaker , Andreas Savin

The adiabatic connection formalism, usually based on the first-order perturbation theory, has been generalized to an arbitrary order. The generalization stems from the observation that the formalism can be derived from a properly arranged…

Chemical Physics · Physics 2023-10-18 Andreas Savin , Jacek Karwowski

Conditions for the validity of the quantum adiabatic approximation are analyzed. For the case of linear Hamiltonians, a simple and general sufficient condition is derived, which is valid for arbitrary spectra and any kind of time variation.…

Quantum Physics · Physics 2015-05-13 V. I. Yukalov

Hamiltonian perturbation theory is used to analyse the stability of f(R) models. The Hamiltonian equations for the metric and its momentum conjugate are written for f(R) Lagrangian in the presence of perfect fluid matter. The perturbations…

General Relativity and Quantum Cosmology · Physics 2010-04-29 Tuomas Multamäki , Jaakko Vainio , Iiro Vilja

This paper demonstrates that a computer aided perturbation theory can easily be realized by use of a cumulant approach. In contrast to a recent alternative formulation on the basis of Wegner's flow equation method the present approach can…

Strongly Correlated Electrons · Physics 2009-11-10 S. Sykora , A. Huebsch , K. W. Becker

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…

Strongly Correlated Electrons · Physics 2019-10-29 Xindong Wang , Hai-Ping Cheng

Starting from a general $N$-band Hamiltonian with weak spatial and temporal variations, we derive a low energy effective theory for transport within one or several overlapping bands. To this end, we use the Wigner representation that allows…

Mesoscale and Nanoscale Physics · Physics 2013-08-09 Christian Wickles , Wolfgang Belzig

The dynamics of quantum systems under the adiabatic Hamiltonian has attracted attention not only in quantum control but also in a wide range of fields from condensed matter physics to high-energy physics because of its non-perturbative…

Quantum Physics · Physics 2024-05-10 Takayuki Suzuki , Eiki Taniguchi , Kaito Iwamura

The space of quantum Hamiltonians has a natural partition in classes of operators that can be adiabatically deformed into each other. We consider parametric families of Hamiltonians acting on a bi-partite quantum state-space. When the…

Quantum Physics · Physics 2009-11-10 Alioscia Hamma , Paolo Zanardi

We propose a novel non-Hermitian adiabatic quantum optimization algorithm. One of the new ideas is to use a non-Hermitian auxiliary "initial'' Hamiltonian that provides an effective level repulsion for the main Hamiltonian. This effect…

Quantum Physics · Physics 2012-11-15 Gennady P. Berman , Alexander I. Nesterov

The theory of correlated electron systems is formulated in a form which allows to use as a reference point an ab initio band structure theory (AIBST). The theory is constructed in two steps. As a first step the total Hamiltonian is…

Strongly Correlated Electrons · Physics 2007-05-23 Igor Sandalov , Borje Johansson , Olle Eriksson

We present a new perturbation theory for quantum mechanical energy eigenstates when the potential equals the sum of two localized, but not necessarily weak potentials $V_{1}(\vec{r})$ and $V_{2}(\vec{r})$, with the distance $L$ between the…

Quantum Physics · Physics 2007-05-23 Seok Kim , Choonkyu Lee

We justify an applicability of the adiabatic perturbation theory for three well known systems with impacts: a ball between two slowly moving walls, a slowly irregular waveguide, and an adiabatic piston.

Dynamical Systems · Mathematics 2007-05-23 I. V. Gorelyshev , A. I. Neishtadt