This program computes resonance position for a three dimensional problem where the potential is piecewise adiabatic with transformation matrices between each region.
The integration is continued out to an inputted maximum r. The asymptotic potential is adjusted to agree with the with exact static polarizability.
iuwavf, iuwavo, iureng, idstopx
iutpot < 0and
nppx < 0then read
nppx >= 0then read
nppx, (nppxi(i), i = 1, nppx)
iuwavf < 0then read
idstop(4) = 1then repeatedly read until
ibranch < 0
ibranch < 0read
0 <= ibranch < 2read
ibranch, rrzengi, rizengi
2 <= ibranchread
ibranch, rrzengi, rizengi, rrzengs, rizengs, icont
iutpot < 0then read in which partial waves to use
(LEN = 5)which is the IR for the continuum electron
iuwavf = 0then do not compute the wave function.
iuwavf /= 0then the program writes out the eigenfunction of the T matrix with the largest eigenvalue to unit
iuwavf < 0then read in the number of radial functions to write out.
ABS(iuwavo)in the full partial wave format.
iuwavo = 0then do not write out the wave function.
iuwavo < 0write out in plotable form.
iureng = 0do not write out. If
idstop(4) = 2then this is an input unit with energies for single point calculations.
idstopx= 0then do the whole calculation.
idstopxgets decomposed into a series of flags which are put in into idstop,
idstop(1)from the ones place,
idstop(2)from the tens place etc.
= 0do the regular scattering calculation.
= 1do not do the regular scattering calculation.
= 0do the bound state calculation.
= 1do not do the bound state calculation.
= 2do energies and print out, but do not search for roots.
= 0do the resonant state calculation.
= 1do not do the resonant state calculation.
= 0do not do the inputed energy calculation energy calculation.
= 1do only the inputed energy claculation.
= 2read energies from
nppx < 0then use the first
ABS(nppx)partial waves, other read in explicitly which partial waves to use.
ibranch < 0no more points to calculate.
ibranch = 0physical sheet which contains the real bound states, compute at a single energy.
ibranch = 1unphysical sheet which contains virtual states and resonances, compute at a single energy.
ibranch = 2physical sheet which contains the real bound states and do sequence of energies.
ibranch = 3unphysical sheet which contains virtual states and resonances and do a sequence of energies.
(rrzengi, rizengi)and incrementing by