Computational spin dynamics and visualisation of large spin systems

Computational spin dynamics and visualisation of large spin systems

<p>The thesis commences with a detailed review of the background theory of spin dynamics simulations. State space restriction is introduced via a "top-down" approach. Common terms that make up the spin Hamiltonian are reviewed, and it is noted that the mathematical forms of these ter...

Fuld beskrivelse

Bibliografiske detaljer
Main Authors:	Charnock, G, Gareth Charnock
Andre forfattere:	Kuprov, I
Format:	Thesis
Sprog:	English
Udgivet:	2012
Fag:	Physical & theoretical chemistry Theoretical physics Physics and CS Spectroscopy and molecular structure NMR spectroscopy

Lignende værker

Highly efficient quantum spin dynamics simulation algorithms
af: Edwards, L
Udgivet: (2014)

Simulation of coherence selection by pulsed field gradients in liquid-state NMR using an auxiliary matrix formalism
af: Edwards, L
Udgivet: (2014)

Coherent transfer between electron and nuclear spin qubits and their decoherence properties
af: Brown, R
Udgivet: (2012)

Applications of optical-feedback cavity-enhanced absorption spectroscopy
af: Bergin, A
Udgivet: (2013)

High resolution spectroscopy of open shell clusters
af: Dennis, C, et al.
Udgivet: (1997)

Investigations of open-shell open-shell Van der Waals complexes
af: Economides, G
Udgivet: (2013)

Spin dynamics calculations applied to systems of potential biological significance
af: Player, TC
Udgivet: (2021)

High resolution microwave spectroscopic studies of hydrates of carboxylic acids
af: Ouyang, B
Udgivet: (2009)

Nuclear magnetic resonance data processing methods
af: Jones, J, et al.
Udgivet: (1992)

Electron paramagnetic resonance studies of artificial supramolecular structures and biological systems
af: Tait, C
Udgivet: (2015)

Coherent spin dynamics of radical pairs in weak magnetic fields
af: Hogben, H
Udgivet: (2011)

Charge transfer of Rydberg hydrogen molecules and atoms at doped silicon surfaces
af: Ganeshalingam, S
Udgivet: (2012)

Development of Techniques for Trace Gas Detection in Breath
af: Langley, C, et al.
Udgivet: (2012)

Radiofrequency polarization effects in zero-field electron paramagnetic resonance
af: Rodgers, C, et al.
Udgivet: (2009)

Spin-selective chemical reactions in radical pair magnetoreception
af: Lau, J, et al.
Udgivet: (2014)

Spin relaxation effects in photochemically induced dynamic nuclear polarization spectroscopy of nuclei with strongly anisotropic hyperfine couplings.
af: Kuprov, I, et al.
Udgivet: (2007)

Simulation studies of recombination kinetics and spin dynamics in radiation chemistry
af: Agarwal, A
Udgivet: (2011)

Analysis of small volume liquid samples using cavity enhanced absorption spectroscopies
af: Rushworth, CM
Udgivet: (2012)

Coherent transient spectroscopy with quantum cascade lasers
af: Kirkbride, JMR
Udgivet: (2014)

Applications of optical-cavity-based spectroscopic techniques in the condensed phase
af: Li, J
Udgivet: (2014)

Magnetic field effects in chemical systems
af: Rodgers, C, et al.
Udgivet: (2007)

Introduction to computational chemistry /
af: 290797 Jensen, Frank
Udgivet: (1999)

Introduction to computational chemistry /
af: 290797 Jensen, Frank
Udgivet: (2007)

Essentials of computational chemistry : theories and models /
af: Cramer, Christopher J., 1961-
Udgivet: (2004)

Understanding molecular dynamics with coherent vibrational spectroscopy in the time-domain
af: Liebel, M
Udgivet: (2014)

Prediction of NMR J-coupling in condensed matter
af: Green, T
Udgivet: (2014)

Molecular Rydberg dynamics
af: Batchelor, C
Udgivet: (2003)

The effects of electronic quenching on the collision dynamics of OH(A) with Kr and Xe
af: Perkins, T, et al.
Udgivet: (2014)

Molecular biophysics of strong DNA bending and the RecQ DNA helicase
af: Harrison, R
Udgivet: (2014)

High resolution diode laser spectroscopy of transient species
af: Crow, MB
Udgivet: (2012)

First-principles calculations of NMR parameters for materials applications
af: Lynch, C
Udgivet: (2017)

Experimental physical chemistry /
af: 459258 Das, R. C., et al.
Udgivet: (1983)

Practical physical chemistry/
af: 442547 Findlay, Alexander
Udgivet: (1954)

Practical physical chemistry/
af: 442547 Findlay, Alexander, et al.
Udgivet: (1973)

International Union of Pure and Applied Chemistry. Division of Physical chemistry : Commission on Physicochemical Symbols, Terminology and symbols in physical chemistry /
af: Mill, Ian
Udgivet: (1988)

Manual of symbols and terminology for physicochemical quantities and units/
af: 4257 International Union of Pure and Applied Chemistry. Commission on Symbols, Terminology and Units
Udgivet: (1979)

Quantities, units, and symbols in physical chemistry /
af: Mills, Ian (Ian M.), et al.
Udgivet: (2007)

Physical chemistry with applications to biological systems /
af: Chang, Raymond, 1939-2017, 205977
Udgivet: (1981)

Spin-selective reactions of radical pairs act as quantum measurements
af: Jones, J, et al.
Udgivet: (2010)

The collision dynamics of OH(A)+H2
af: Seamons, S
Udgivet: (2015)