Available simulation routines compatible with SimPlugin. Only specific for simulations parameters are presented. EasySpin (www.esr.ethz.ch) syntax rules are used for spin-hamiltonian parameters definition. Any Matlab expressions in a value are allowed.


EPR, ENDOR, TRIPLE, Mössbauer

EPR


Simulation

Type

Structure

Field

Description

EPR05

EPR

EPR of one spin S=1/2 and multiple I=1/2 nuclei. Hyperfine is evaluated in the effective magnetic field frame. No restriction on nuclei parameters symmetry.


Simulation

Type

Structure

Field

Description

EPRs05ii

EPR

EPR of one spin S=1/2 and two I=5/2 nuclei (Mn). First order perturbation on electron transition. No restriction on nuclei parameters symmetry.


Simulation

Type

Structure

Field

Description

EPRgisoD

EPR

EPR of even spin S and two I=5/2 nuclei. Isotropic g-factor. Second order perturbation theory.


Simulation

Type

Structure

Field

Description

EPRgisoD3

EPR

EPR of even spin S and two I=5/2 nuclei. Isotropic g-factor. Third order perturbation theory.


ENDOR


Simulation

Type

Structure

Field

Description

sugar

ENDOR

ENDOR of the one spin S=1/2 and one I=1/2 nuclei. First order perturbation on electron transition. No restriction on nuclei parameters symmetry. Approximate excitation window.

Exp

Hole

Blind spot in [MHz]. If 0 ignored.

Exp

Scheme

Type of ENDOR sequence. Also see Exp.Hole.


Simulation

Type

Structure

Field

Description

sugar1

ENDOR

ENDOR of one spin S=1/2 and one I=1 nuclei. First order perturbation on electron transition. No restriction on nuclei parameters symmetry. Approximate excitation window.

Exp

Hole

Blind spot in [MHz]. If 0 ignored.

Exp

Scheme

Type of ENDOR sequence. Also see Exp.Hole.


Simulation

Type

Structure

Field

Description

ENDOR05

ENDOR

ENDOR of one spin S=1/2 and multiple I=1/2 nuclei. Exact treatment of hpf in the effective magnetic field frame. No restriction on nuclei parameters symmetry. Precise excitation window using all hpf couplings. As a drawback produces sometimes funny intensities. Fast.

Exp

Hole

Blind spot in [MHz]. If 0 ignored.

Exp

Scheme

Type of ENDOR sequence. Also see Exp.Hole.

Opt

Amp

Amplitude of every transition. Size(Opt.Amp)=[Number of nuclei] or [Number of nuclei x number of transitions]


Simulation

Type

Structure

Field

Description

ENDORs05ii

ENDOR

ENDOR of one spin S=1/2 and two I=5/2 nuclei (Mn). Second order perturbation theory.


Simulation

Type

Structure

Field

Description

ENDORs05iiii

ENDOR

ENDOR of one spin S=1/2 and four I=5/2 nuclei. Second order perturbation theory.


TRIPLE


Simulation

Type

Structure

Field

Description

triplesugar

TRIPLE

TRIPLE of one spin S=1/2 and one I=1/2 nuclei. First order perturbation on electron transition. No restriction on nuclei parameters symmetry. Approximate excitation window.

Exp

Hole

Blind spot in [MHz]. If 0 ignored.

Exp

Scheme

Type of ENDOR sequence. Also see Exp.Hole.


Simulation

Type

Structure

Field

Description

triplesugar1D

TRIPLE

TRIPLE of one spin S=1/2 and one I=1/2 nuclei. First order perturbation on electron transition. No restriction on nuclei parameters symmetry. Approximate excitation window.

Exp

Hole

Blind spot in [MHz]. If 0 ignored.

Exp

Scheme

Type of ENDOR sequence. Also see Exp.Hole.


Simulation

Type

Structure

Field

Description

triplesugar2D

TRIPLE

TRIPLE of one spin S=1/2 and one I=1/2 nuclei. First order perturbation on electron transition. No restriction on nuclei parameters symmetry. Approximate excitation window. 2D version.

Exp

Hole

Blind spot in [MHz]. If 0 ignored.

Exp

Scheme

Type of ENDOR sequence. Also see Exp.Hole.


Mossbauer


Simulation

Type

Structure

Field

Description

mossbill

Mossbauer

Mossbauer of one spin S=1/2 and multiple I=1/2 nuclei. First order perturbation on electron transition. No restriction on nuclei parameters symmetry. Precise excitation window.

Exp

Hole

Blind spot in [MHz]. If 0 ignored.

Exp

Scheme

Type of ENDOR sequence. Also see Exp.Hole.