example_NO2.m File Reference

Functions
index of the	final (cationic) state initial_state
index of the	initial (bound) state energy
electron energy grid in Hartree d	momentum_space_photodipoles (theta, phi, initial_state, final_state,{energy}) d.initial_state_energy(initial_state) %energies of the initial state d.final_state_energy(final_state) %energies of the final state d.initial_state_dipoles(initial_state
electron energy grid in Hartree d final_state dipoles for the pair of initial states with indices final_state d	final_state_dipoles (initial_state, final_state) %dipoles for the pair of final states with indices initial_state
read the list of files	fclose (fileID)
ra in Bohr d	momentum_space_photodipoles (theta, phi, initial_state, final_state,{energy, gamma, ra}) %x
ra in Bohr d z components of the photoelectron dipole for the ra grid d	initial_state_energy (initial_state,{gamma, ra}) %energies of the initial state on the gamma
ra in Bohr d z components of the photoelectron dipole for the ra grid d ra nuclear grid d	final_state_energy (final_state,{gamma, ra}) %energies of the final state on the gamma
ra in Bohr d z components of the photoelectron dipole for the ra grid d ra nuclear grid d ra nuclear grid d	initial_state_dipoles (initial_state, final_state,{gamma, ra}) %dipoles for the pair of initial states with indices initial_state
ra in Bohr d z components of the photoelectron dipole for the ra grid d ra nuclear grid d ra nuclear grid d final_state on the ra nuclear grid d	final_state_dipoles (initial_state, final_state,{gamma, ra}) %dipoles for the pair of final states with indices initial_state
ra in Bohr d z components of the photoelectron dipole for the ra grid d ra nuclear grid d ra nuclear grid d final_state on the ra nuclear grid d final_state on the ra nuclear grid d	Dyson_signs (final_state, initial_state,{gamma, ra}) %Dyson orbital signs evaluated for the given pair of final and initial states and for all angular points on the gamma

Variables
Example for single	geometry
electron theta emission angle in radians	phi = 2.0
electron phi emission angle in radians	final_state = 1
electron energy grid in Hartree d final_state dipoles for the pair of initial states with indices	initial_state = 1
electron energy grid in Hartree d final_state dipoles for the pair of initial states with indices final_state d final_state d Dyson_signs(final_state, initial_state) %Dyson orbital signs evaluated for the given pair of final and initial states %Exaple using multiple geometries	C = textscan(fileID,'%s','Delimiter','\n')
	str = char(C{1})
	files = cellstr(str)
	d
electron energy in Hartree	gamma = linspace(80,170,15)
gamma in degrees	ra = linspace(0.0,0.15,5)
ra in Bohr d	y
ra in Bohr d z components of the photoelectron dipole for the	energy = linspace(0.2,1.0,10)

Function Documentation

Dyson_signs()

ra in Bohr d z components of the photoelectron dipole for the ra grid d ra nuclear grid d ra nuclear grid d final_state on the ra nuclear grid d final_state on the ra nuclear grid d Dyson_signs ( final_state , initial_state , {gamma, ra}  )

final

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fclose()

read the list of files fclose

(

fileID

)

final()

index of the final

(

cationic

)

final_state_dipoles() [1/2]

electron energy grid in Hartree d final_state dipoles for the pair of initial states with indices final_state d final_state_dipoles ( initial_state , final_state  )

final

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final_state_dipoles() [2/2]

ra in Bohr d z components of the photoelectron dipole for the ra grid d ra nuclear grid d ra nuclear grid d final_state on the ra nuclear grid d final_state_dipoles ( initial_state , final_state , {gamma, ra}  )

final

final_state_energy()

ra in Bohr d z components of the photoelectron dipole for the ra grid d ra nuclear grid d final_state_energy ( final_state , {gamma, ra}  )

final

initial()

index of the initial

(

bound

)

initial_state_dipoles()

ra in Bohr d z components of the photoelectron dipole for the ra grid d ra nuclear grid d ra nuclear grid d initial_state_dipoles	(	initial_state	,
		final_state	,
		{gamma, ra}	)

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initial_state_energy()

ra in Bohr d z components of the photoelectron dipole for the ra grid d initial_state_energy	(	initial_state	,
		{gamma, ra}	)

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momentum_space_photodipoles() [1/2]

ra in Bohr d momentum_space_photodipoles	(	theta	,
		phi	,
		initial_state	,
		final_state	,
		{energy, gamma, ra}	)

momentum_space_photodipoles() [2/2]

electron energy grid in Hartree d momentum_space_photodipoles ( theta , phi , initial_state , final_state , {energy}  )

final

Variable Documentation

C

electron energy grid in Hartree d final_state dipoles for the pair of initial states with indices final_state d final_state d Dyson_signs (final_state,initial_state) %Dyson orbital signs evaluated for the given pair of final and initial states %Exaple using multiple geometries C = textscan(fileID,'%s','Delimiter','\n')

final

d

end end end function d

Initial value:

= rmatrix_data(files,5) %read the R-matrix data for every 5-th energy.
d.show_states
 
theta = 1.5

energy

index of the initial(bound) state energy = linspace(0.2,1.0,10)

files

files = cellstr(str)

final_state

radians final_state = 1

gamma

ra in Bohr d z components of the photoelectron dipole for the ra grid d ra nuclear grid d ra nuclear grid d final_state on the ra nuclear grid d final_state on the gamma = linspace(80,170,15)

geometry

Example for single geometry

initial_state

index of the final(cationic) state initial_state = 1

phi

radians phi = 2.0

ra

gamma in degrees ra = linspace(0.0,0.15,5)

str

end else str = char(C{1})

y

end else Output is a y