The Complete Homogeneous Master Equation for a Heteronuclear Two-Spin System in the Basis of Cartesian Product Operators
✍ Scribed by Peter Allard; Magnus Helgstrand; Torleif Härd
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 201 KB
- Volume
- 134
- Category
- Article
- ISSN
- 1090-7807
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✦ Synopsis
The complete homogeneous form of the quantum mechanical master equation for a heteronuclear two-spin system is presented in the basis of Cartesian product operators. The homogeneous master equation is useful since it allows fast, singlestep computation of the density operator during pulse sequences, without neglecting relaxation effects. The homogeneous master equation is also a prerequisite for an expansion of the average Hamiltonian theory to include relaxation, thus forming average Liouvillian theory. The coherences of the twospin system are assumed to be relaxed both by mutual dipoledipole interaction and by chemical shift anisotropy interaction with the static magnetic field. The cross-correlation between dipole-dipole and chemical shift anisotropy relaxation mechanisms is also considered. To illustrate the applicability of the developed formalism we simulate the overall transfer efficiency of three different inverse detection 1 H-15 N correlation experiments with parameters corresponding to a large protein.