Related papers: First-principles envelope-function theory for latt…
We study the Hubbard model on the honeycomb lattice in the vicinity of the quantum critical point by means of a multiband formulation of the Dual Fermion approach. Beyond the strong local correlations of the dynamical mean field, critical…
We present a theory for the single particle excitations and Fermi surface of the Kondo lattice. Thereby we construct an effective Hamiltonian describing the creation and propagation of single particle-like charge fluctuations on an…
For ultrashort VUV pulses with a pulse length comparable to the orbital time of the bound electrons they couple to we propose a simplified envelope Hamiltonian. It is based on the Kramers-Henneberger representation in connection with a…
Organic semiconductors are attractive building blocks for electronic devices due to their low cost and flexibility. Furthermore, heterostructures with type-II band alignments can efficiently separate photogenerated charges via a charge…
It is shown that four-component (4C), quasi-four-component (Q4C), and exact two-component (X2C) relativistic Hartree-Fock (HF) equations can be implemented in an unified manner, by making use of the atomic nature of the small components of…
An effective set of the Hartree-Fock (HF) equations are derived for electrons of the muonic systems, i.e., molecules containing a positively charged muon, conceiving the muon as a quantum oscillator, which are completely equivalent to the…
The band structures describing non-interacting particles in one-dimensional superlattices of arbitrary periodicity are obtained by an analytical diagonalization of the Hamiltonian without adopting the popular tight-binding approximation.…
The mechanism of backbending is semi-phenomenologically investigated based on the hybridization of two rotational bands. These bands are defined by treating a model Hamiltonian describing two interacting subsystems: a set of particles…
In the effective-mass approximation, the step-like crystal potential of a wurtzite semiconductor heterostucture should be supplemented by Dirac delta-function heterointerface terms. They stem from the difference in the Bloch functions of…
Deriving quantum error correction and quantum control from the Schrodinger equation for a unified qubit-environment Hamiltonian will give insights into how microscopic degrees of freedom affect the capability to control and correct quantum…
Pairing rotations are the low-energy excitations of finite superfluid systems, connecting systems that differ in their number of Cooper pairs. This paper presents a model-independent derivation of pairing rotations within an effective…
We present systematic ab initio calculations of the charge carrier correlations between adjacent layers of two-dimensional materials in the presence of both charged impurity and strain disorder potentials using the examples of monolayer and…
This work presents a pedagogical and self-contained derivation of the first-order effective Hamiltonian for the two-mode Jaynes-Cummings model in the dispersive regime. A perturbative unitary transformation removes nonresonant atom-field…
We study Heisenberg antiferromagnets on a diamond-like decorated square lattice perturbed by further neighbor couplings. The second-order effective Hamiltonian is calculated and the resultant Hamiltonian is found to be a square-lattice…
Alignment of electrostatic potential between different atomic configurations is necessary for first-principles calculations of band offsets across interfaces and formation energies of charged defects. However, strong oscillations of this…
We apply the multiconfigurational time-dependent Hartree method for indistinguishable particles (MCTDH-X) to systems of bosons or fermions in lattices described by Hubbard type Hamiltonians with long-range or short-range interparticle…
The ab initio computational method known as Hubbard-corrected density functional theory (DFT+$U$) captures well ground electronic structures of a set of solids that are poorly described by standard DFT alone. Since lattice dynamical…
Generally, natural scientific problems are so complicated that one has to establish some effective perturbation or nonperturbation theories with respect to some associated ideal models. In this Letter, a new theory that combines…
The loss of particles due to highly inelastic reactions has previously been taken into account in effective field theories for low-energy particles by adding local anti-Hermitian terms to the effective Hamiltonian. An additional…
Quantum dots with conduction electrons or holes originating from several bands are considered. We assume the particles are confined in a harmonic potential and assume the electrons (or holes) belonging to different bands to be different…