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Hanebaum, Oliver: Implementation of FTLM for full Hilbert space investigation of anisotropic quantum spin systems. 2018
Inhalt
List of Figures
List of Tables
Introduction
FTLM
Lánczos Procedure
Origin and Scope
Krylov Subspace Methods
Recursion Relation
Algorithmic Description of LP
Properties in Exact Arithmetics
Standard Algorithm
Two-vector Algorithm
Development and Analysis of LP
Rayleigh Quotient and Ritz Values
Finite-temperature Part of FTLM
Partition Function and Observables
Use of Difference Quotients
FTLM Approximations
Powder Averaging
Implementation of Magnetisation ``Measurement''
Molecular Magnetism
Overview and Motivation
Motivation
Spin Systems
Basics
Spin Hamiltonian
Heisenberg Exchange
Single Ion Anisotropy
Dzyaloshinsky-Moriya Interaction
Zeeman
Results and Discussion
Tests and Calibrations
Analytical Results: Spin Triangle
Difference Quotients
Drawbacks
Main Results
Hourglass Molecules
Fictive Molecule I
Fictive Molecule – Plus Central Ion
Mn–Ring
General Remarks
Actual Results
Evaluation
The Drosophila
General Remarks
Results I
Results II
Final Words
Conclusions
Future Work
Bibliography