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...

Disgrifiad llawn

Manylion Llyfryddiaeth
Prif Awduron:	Charnock, G, Gareth Charnock
Awduron Eraill:	Kuprov, I
Fformat:	Traethawd Ymchwil
Iaith:	English
Cyhoeddwyd:	2012
Pynciau:	Physical & theoretical chemistry Theoretical physics Physics and CS Spectroscopy and molecular structure NMR spectroscopy

Eitemau Tebyg

Highly efficient quantum spin dynamics simulation algorithms
gan: Edwards, L
Cyhoeddwyd: (2014)

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Coherent transient spectroscopy with quantum cascade lasers
gan: Kirkbride, JMR
Cyhoeddwyd: (2014)

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

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

Introduction to computational chemistry /
gan: 290797 Jensen, Frank
Cyhoeddwyd: (1999)

Introduction to computational chemistry /
gan: 290797 Jensen, Frank
Cyhoeddwyd: (2007)

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

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

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

Molecular Rydberg dynamics
gan: Batchelor, C
Cyhoeddwyd: (2003)

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

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

High resolution diode laser spectroscopy of transient species
gan: Crow, MB
Cyhoeddwyd: (2012)

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

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

Practical physical chemistry/
gan: 442547 Findlay, Alexander
Cyhoeddwyd: (1954)

Practical physical chemistry/
gan: 442547 Findlay, Alexander, et al.
Cyhoeddwyd: (1973)

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

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

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

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

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

The collision dynamics of OH(A)+H2
gan: Seamons, S
Cyhoeddwyd: (2015)