Related papers: Effective Hamiltonians from Spin Adapted Configura…
Vibronic coupling has a dramatic influence over a large number of molecular processes, ranging from photo-chemistry, to spin relaxation and electronic transport. The simulation of vibronic coupling with multi-reference wavefunction methods…
A model subspace configuration interaction method is developed to obtain chemically accurate electron correlations by diagonalising a very compact effective Hamiltonian of realistic molecule. The construction of the effective Hamiltonian is…
A method is proposed for obtaining a systematic expansion of thermodynamic functions of spin systems with large spin S in powers of 1/S. It uses the cumulant technique and a coherent-state representation of the partition function Z. The…
Implicit in the study of magnetic materials is the concept of spin Hamiltonians, which emerge as the low-energy theories of correlation-driven insulators. In order to predict and establish such Hamiltonians for real materials, a variety of…
Photonic solvers that are able to find the ground states of different spin Hamiltonians can be used to study many interactive physical systems and combinatorial optimization problems. Here, we establish a real-and-momentum space…
For the implementation of a quantum computer it is necessary to exercise complete control over the Hamiltonian of the used physical system. For NMR quantum computing the effectively acting Hamiltonian can be manipulated via pulse sequences.…
Spin models arise in the microscopic description of magnetic materials, where the macroscopic characteristics are governed by exchange interactions among the constituent magnetic moments. Recently, there has been a growing interest in…
We present a universal quantum Monte Carlo algorithm for simulating arbitrary high-spin (spin greater than 1/2) Hamiltonians, based on the recently developed permutation matrix representation (PMR) framework. Our approach extends a…
The magnetic interaction of a pair of bound magnetic polarons (BMP) in diluted magnetic semiconductors (DMS) is analyzed via a generalized Hubbard-type Hamiltonian for two carriers in the presence of effective magnetic fields arising from…
We develop generalization of the fixed-phase diffusion Monte Carlo method for Hamiltonians which explicitly depend on particle spins such as for spin-orbit interactions. The method is formulated in zero variance manner and is similar to…
A general concept for the derivation of symmetry-based pseudo spin Hamiltonians is described. It systematically bridges the gap between the atomistic basis and various pseudo spin models presented in literature. It thus allows the…
While the density functional theory with integral equations techniques are very efficient tools in numerical analysis of complex fluids, an analytical insight into the phenomenon of effective interactions is still limited. In this paper we…
Sampling the stationary points of a complicated potential energy landscape is a challenging problem. Here we introduce a sampling method based on relaxation from stationary points of the highest index of the Hessian matrix. We illustrate…
This paper presents a useful compact formula for deriving an effective Hamiltonian describing the time-averaged dynamics of detuned quantum systems. The formalism also works for ensemble-averaged dynamics of stochastic systems. To…
It is demonstrated that the magnetic interactions can be drastically different for nano-sized systems compared to those of bulk or surfaces. Using a real-space formalism we have developed a method to calculate non-collinear magnetization…
We employ density functional theory within a non-collinear framework to investigate the magnetic properties of the octanuclear molecular rings Cr$_8$ and V$_8$. Our aim is to generalize the evaluation of the effective magnetic interactions…
Starting from the conventional electron-hole Hamiltonian ${\cal H}_{eh}$, we derive an effective Hamiltonian $\tilde{\cal H}_{1s}$ for $1s$ excitons with spin degrees of freedom. The Hamiltonian describes optical processes close to the…
Spin models like the Heisenberg Hamiltonian effectively describe the interactions of open-shell transition-metal ions on a lattice and can account for various properties of magnetic solids and molecules. Numerical methods are usually…
The paper discusses the transformation of decorated Ising models into an effective \textit{undecorated} spin models, using the most general Hamiltonian for interacting Ising models including a long range and high order interactions. The…
NMR spin-spin relaxation in solids in strong magnetic fields is normally described only with the help of the secular part of the full spin-spin interaction Hamiltonian. This approximation is associated with the averaging of the spin-spin…