Difference between revisions of "Zftrip.m"
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spin_system - Spinach spin system object | spin_system - Spinach spin system object | ||
| − | ZFS - 3x3 ZFS tensor (Hz) in the laboratory frame of reference | + | ZFS - 3x3 ZFS tensor (Hz) in the laboratory frame of reference; |
| + | use zfs2mat() to get it from D, E, and molecular Euler angles | ||
pops - populations of X, Y, and Z eigenstates of the ZFS tensor at zero field [pX pY pZ] | pops - populations of X, Y, and Z eigenstates of the ZFS tensor at zero field [pX pY pZ] | ||
| − | Z - 3x3 Zeeman interaction tensor (Hz/Tesla) in the laboratory frame of reference | + | Z - 3x3 Zeeman interaction tensor (Hz/Tesla) in the laboratory |
| + | frame of reference; use functions like axrh2mat() to get it | ||
| + | from eigenvalues and molecular Euler angles | ||
B - magnetic field along the laboratory Z axis, Tesla | B - magnetic field along the laboratory Z axis, Tesla | ||
| − | idx - index of the electron triplet in the sys.isotopes list | + | idx - index of the electron triplet, using 'E3', in the sys.isotopes list |
==Outputs== | ==Outputs== | ||
Revision as of 16:04, 5 June 2026
Projection of the zero-field triplet state with user-specified populations of Cartesian ZFS eigenstates onto the higher-field ZFS + Zeeman eigenstates. This is commonly seen in triplet DNP with photo-generated two-electron triplets.
Syntax
rho=zftrip(spin_system,ZFS,pops,Z,B,idx)
Arguments
spin_system - Spinach spin system object
ZFS - 3x3 ZFS tensor (Hz) in the laboratory frame of reference;
use zfs2mat() to get it from D, E, and molecular Euler angles
pops - populations of X, Y, and Z eigenstates of the ZFS tensor at zero field [pX pY pZ]
Z - 3x3 Zeeman interaction tensor (Hz/Tesla) in the laboratory
frame of reference; use functions like axrh2mat() to get it
from eigenvalues and molecular Euler angles
B - magnetic field along the laboratory Z axis, Tesla
idx - index of the electron triplet, using 'E3', in the sys.isotopes list
Outputs
rho - spin density matrix (Hilbert space) or state vector (Liouville space)
See also
Version 2.11, authors: Guinevere Mathies, Ilya Kuprov