# Set system-bath interaction
#
mol1.set_transition_environment((0, 1), cf)
mol2.set_transition_environment((0, 1), cf)
#
# Creating aggregate
#
agg = Aggregate("Dimer", molecules=[mol1, mol2])
agg.set_coupling_by_dipole_dipole()
with energy_units("1/cm"):
print(agg.get_resonance_coupling(0, 1))
agg.build(mult=2)
with energy_units("1/cm"):
rwa_cm = agg.get_RWA_suggestion()
rwa = agg.get_RWA_suggestion()
#
# Prepare for calculation of 2D spectra
#
# TimeAxis for t2 waiting time
t2s = TimeAxis(0.0, 5, 20.0)
#
# Set up calculator
#
tcalc = TwoDSpectrumCalculator(t1axis=ta, t2axis=t2s, t3axis=ta, system=agg)
agg.build()
#
# Now we can start simulations
#
H = agg.get_Hamiltonian()
with energy_units("1/cm"):
print("\nExcited state Hamiltonian (energies in 1/cm):\n")
# for i in range(1, H.dim):
# for j in range(i,H.dim):
# print(i,j,":",H.data[i,j])
numpy.set_printoptions(precision=2,
linewidth=100,
formatter={'all': lambda x: "%8.1f" % x})
print(H.data[1:, 1:])
agg.diagonalize()
calc = qr.AbsSpectrumCalculator(tmax, system=agg)
#with qr.energy_units("1/cm"):
rwa = agg.get_RWA_suggestion()
print("RWA frequency =", rwa)
calc.bootstrap(rwa=rwa)
abss = calc.calculate()
abss.normalize2()
if _show_plots_:
with qr.energy_units("1/cm"):
abss.plot(axis=[11500, 13000, 0, 1.1])
# Now we can start simulations
#
H = agg.get_Hamiltonian()
with energy_units("1/cm"):
print("\nExcited state Hamiltonian (energies in 1/cm):\n")
# for i in range(1, H.dim):
# for j in range(i,H.dim):
# print(i,j,":",H.data[i,j])
numpy.set_printoptions(precision=2, linewidth=100,
formatter={'all':lambda x: "%8.1f" % x})
print(H.data[1:,1:])
agg.diagonalize()
calc = qr.AbsSpectrumCalculator(tmax, system=agg)
#with qr.energy_units("1/cm"):
rwa = agg.get_RWA_suggestion()
print("RWA frequency =", rwa)
calc.bootstrap(rwa=rwa)
abss = calc.calculate()
abss.normalize2()
if _show_plots_:
with qr.energy_units("1/cm"):
abss.plot(axis=[11500,13000,0,1.1])
# Set system-bath interaction
#
mol1.set_transition_environment((0,1),cf)
mol2.set_transition_environment((0,1),cf)
#
# Creating aggregate
#
agg = Aggregate(name="Dimer", molecules=[mol1, mol2])
agg.set_coupling_by_dipole_dipole()
with energy_units("1/cm"):
print(agg.get_resonance_coupling(0,1))
agg.build(mult=2)
with energy_units("1/cm"):
rwa_cm = agg.get_RWA_suggestion()
rwa = agg.get_RWA_suggestion()
#
# Prepare for calculation of 2D spectra
#
# TimeAxis for t2 waiting time
t2s = TimeAxis(0.0, 5, 20.0)
#
# Set up calculator
#
tcalc = qr.TwoDSpectrumCalculator(t1axis=ta, t2axis=t2s, t3axis=ta,
system=agg)
