]
# test_states = ion.FiniteSquareWellState.all_states_of_well_from_parameters(depth, width, mass) + plane_waves
test_states = ion.FiniteSquareWellState.all_states_of_well_from_parameters(
depth, width, mass)
sim = ion.LineSpecification(
"fsw",
x_bound=space_bound,
x_points=2**14,
internal_potential=pot,
electric_potential=electric,
test_mass=mass,
test_states=test_states,
dipole_gauges=(),
initial_state=init,
# time_initial = 0, time_final = 1000 * asec, time_step = 1 * asec,
time_initial=-pw * time_bound * asec,
time_final=pw * time_bound * asec,
time_step=1 * asec,
minimum_time_final=3 * pw * time_bound * asec,
mask=ion.RadialCosineMask(inner_radius=space_bound * 0.8,
outer_radius=space_bound),
animators=ani,
evolution_method="SO",
).to_sim()
print(sim.info())
si.vis.xy_plot(
"fsw_potential",
sim.mesh.x_mesh,
ide_shared_kwargs = dict(evolution_method="RK4", time_step=1 * asec)
msh_spec = ion.LineSpecification(
"msh",
time_step=1 * asec,
x_bound=200 * bohr_radius,
x_points=2**10,
internal_potential=gaussian_well,
initial_state=variational_ground_state,
use_numeric_eigenstates=True,
numeric_eigenstate_max_energy=20 * eV,
analytic_eigenstate_type=ion.GaussianWellState,
mask=ion.RadialCosineMask(inner_radius=175 * bohr_radius,
outer_radius=200 * bohr_radius),
animators=[
animation.animators.RectangleSplitLowerAnimator(
postfix="__g2",
axman_wavefunction=animation.animators.LineMeshAxis(),
axman_lower_left=animation.animators.
ElectricPotentialPlotAxis(show_vector_potential=False),
axman_lower_right=animation.animators.
WavefunctionStackplotAxis(
states=[variational_ground_state]),
fig_dpi_scale=1,
target_dir=OUT_DIR,
)
],
**shared_kwargs,
)
len_spec = ide.IntegroDifferentialEquationSpecification(
"ide_len",
x_label=r"$x$",
x_unit="bohr_radius",
y_label=r"$V(x)$",
y_unit="eV",
**PLOT_KWARGS,
)
sim = ion.LineSpecification(
"gaussian_well",
x_bound=100 * bohr_radius,
x_points=2**10,
test_mass=electron_mass,
internal_potential=gaussian_well,
initial_state=variational_ground_state,
use_numeric_eigenstates=True,
analytic_eigenstate_type=ion.GaussianWellState,
time_initial=0,
time_final=1 * fsec,
animators=[
animation.animators.RectangleAnimator(
axman_wavefunction=animation.animators.LineMeshAxis(),
target_dir=OUT_DIR,
)
],
).to_sim()
sim.info().log()
numeric_ground_state = sim.spec.test_states[0]
si.vis.xy_plot(
"ground_state_comparison",
pot, mass, n=1) + ion.QHOState.from_potential(pot, mass, n=2)
animators = [
src.ionization.animators.LineAnimator(postfix="_nm",
target_dir=OUT_DIR,
distance_unit="nm"),
src.ionization.animators.LineAnimator(postfix="_br",
target_dir=OUT_DIR,
distance_unit="bohr_radius"),
]
specs.append(
ion.LineSpecification(
"line",
x_bound=50 * nm,
x_points=2**14,
internal_potential=pot,
electric_potential=ion.SineWave.from_photon_energy(
1 * eV, amplitude=0.05 * atomic_electric_field),
test_states=(ion.QHOState.from_potential(pot, mass, n=n)
for n in range(20)),
initial_state=init,
time_initial=t_init * asec,
time_final=t_final * 10 * asec,
time_step=dt * asec,
mask=ion.RadialCosineMask(inner_radius=40 * nm,
outer_radius=50 * nm),
animators=animators,
))
si.utils.multi_map(make_movie, specs, processes=4)
),
show_norm=False,
legend_kwargs={"fontsize": 12},
),
**ANIM_KWARGS,
)
]
sim = ion.LineSpecification(
"truncated_qho",
x_bound=50 * bohr_radius,
x_points=2 ** 13,
internal_potential=truncated_qho_pot,
electric_potential=efield,
test_mass=mass,
# use_numeric_eigenstates = True,
# numeric_eigenstate_max_energy = 10 * eV,
# analytic_eigenstate_type = ion.QHOState,
initial_state=init,
time_initial=0,
time_final=efield.period_carrier * 10,
time_step=10 * asec,
animators=animators,
).to_sim()
sim.info().log()
si.vis.xy_plot(
"truncated_qho_potential",
sim.mesh.x_mesh,
truncated_qho_pot(distance=sim.mesh.x_mesh),
x_label=r"$x$",
spec = ion.LineSpecification(
f"LR__cep={phase / pi:3f}pi_{num_states}",
internal_potential=ion.SoftCoulomb(),
electric_potential=pulse,
initial_state=ion.OneDSoftCoulombState(),
x_bound=3400 * bohr_radius,
x_points=17000,
time_initial=0,
time_final=time_final,
time_step=0.02 * atomic_time,
use_numeric_eigenstates=True,
number_of_numeric_eigenstates=num_states,
analytic_eigenstate_type=ion.OneDSoftCoulombState,
# checkpoints = True,
# checkpoint_every = datetime.timedelta(minutes = 1),
# checkpoint_dir = SIM_LIB,
# animators = [
# ion.animators.RectangleAnimator(
# axman_wavefunction = ion.animators.LineMeshAxis(
# which = 'fft',
# log = True,
# distance_unit = 'per_nm',
# # plot_limit = 1000 * per_nm,
# ),
# fig_dpi_scale = 2,
# length = 30,
# target_dir = OUT_DIR,
# ),
# ]
)
postfix="_full_log",
log_metrics=True),
src.ionization.animators.LineAnimator(target_dir=OUT_DIR,
plot_limit=10 * nm,
postfix="_10"),
]
sim = ion.LineSpecification(
"qho",
x_bound=50 * nm,
x_points=2**14,
internal_potential=pot,
# internal_potential = ion.NoPotentialEnergy(),
electric_potential=electric,
test_mass=mass,
test_states=(ion.QHOState.from_potential(pot, mass, n=n)
for n in range(60)),
dipole_gauges=(),
initial_state=init,
time_initial=0,
time_final=10 * fsec,
time_step=10 * asec,
animators=ani,
).to_sim()
# delta = 2 * bohr_radius
# sim.mesh.psi = np.exp(-0.5 * ((sim.mesh.x / delta) ** 2)).astype(np.complex128)
print("init norm", sim.mesh.norm())
sim.mesh.plot_g2(name_postfix="_init", target_dir=OUT_DIR)
checkpoint_dir=SIM_LIB,
store_data_every=1,
)
prefix = (
f"pw={pw / asec:2f}as_flu={flu / Jcm2:4f}jcm2_phase={phase / pi:3f}pi"
)
fsw_initial_state = ion.FiniteSquareWellState.from_potential(
internal_potential, mass=test_mass)
specs = [
ion.LineSpecification(
prefix + "__fsw_len",
internal_potential=internal_potential,
initial_state=fsw_initial_state,
evolution_gauge="LEN",
**shared_kwargs,
),
# ion.LineSpecification(
# prefix + '__line_vel',
# internal_potential = internal_potential,
# initial_state = ion.FiniteSquareWellState.from_potential(internal_potential, mass = test_mass),
# evolution_gauge = 'VEL',
# **shared_kwargs,
# ),
ion.SphericalHarmonicSpecification(prefix + "__hyd_len",
evolution_gauge="LEN",
**shared_kwargs),
# ion.SphericalHarmonicSpecification(
# prefix + '__hyd_vel',
target_dir=OUT_DIR,
axman_wavefunction=animation.animators.LineMeshAxis(
norm=si.vis.AbsoluteRenormalize()),
axman_lower=animation.animators.ElectricPotentialPlotAxis(
show_vector_potential=True),
)
],
)
specs = []
for gauge in ("LEN", "VEL"):
specs.append(
ion.LineSpecification(
f"{gauge}",
**line_spec_base,
evolution_gauge=gauge,
dipole_gauges=("LEN", ),
))
results = si.utils.multi_map(run_sim, specs)
for r in results:
print(r.electric_dipole_moment_expectation_value_vs_time)
si.vis.xxyy_plot(
"dipole_moment",
(r.data_times for r in results),
(r.electric_dipole_moment_expectation_value_vs_time for r in results),
line_labels=(r.name for r in results),
line_kwargs=({
"linestyle": "-"
epsilon=1e-6,
analytic_eigenstate_type=ion.QHOState,
checkpoints=True,
checkpoint_dir=SIM_LIB,
)
prefix = (
f"pw={pw / asec:2f}as_flu={flu / Jcm2:4f}jcm2_phase={phase / pi:3f}pi"
)
specs = [
ion.LineSpecification(
prefix + "__line_len",
internal_potential=internal_potential,
initial_state=ion.QHOState.from_potential(
internal_potential, mass=test_mass),
store_data_every=5,
evolution_gauge="LEN",
**shared_kwargs,
),
ion.LineSpecification(
prefix + "__line_vel",
internal_potential=internal_potential,
initial_state=ion.QHOState.from_potential(
internal_potential, mass=test_mass),
store_data_every=5,
evolution_gauge="VEL",
**shared_kwargs,
),
ide.IntegroDifferentialEquationSpecification(
prefix + "__ide_len",
round(depth, 2),
round(width, 2),
x_bound,
x_points_exp,
time_bound,
dt,
))
specs.append(
ion.LineSpecification(
identifier,
x_bound=x_bound * nm,
x_points=2**x_points_exp,
internal_potential=fsw_potential,
test_mass=mass,
test_states=test_states,
dipole_gauges=(),
initial_state=init,
time_initial=0,
time_final=time_bound * asec,
time_step=dt * asec,
fft_cutoff_energy=500 * eV,
))
sims = si.utils.multi_map(run, specs, processes=2)
times = sims[0].times
energy_expectation_value = [
sim.energy_expectation_value_vs_time_internal for sim in sims
]
energy_expectation_value_error = [
np.abs(sim.energy_expectation_value_vs_time_internal -
for n in range(4)),
show_norm=False,
legend_kwargs={"fontsize": 12},
),
**anim_kwargs,
),
]
sim = ion.LineSpecification(
"line",
time_initial=0 * asec,
time_final=300 * asec,
x_bound=100 * bohr_radius,
x_points=2**10,
internal_potential=pot,
initial_state=ion.QHOState.from_potential(pot, mass=electron_mass),
test_states=(ion.QHOState.from_potential(pot,
mass=electron_mass,
n=n) for n in range(50)),
electric_potential=ion.potentials.Rectangle(
start_time=100 * asec,
end_time=150 * asec,
amplitude=0.1 * atomic_electric_field,
),
animators=animators,
).to_sim()
sim.info().log()
sim.run()
sim.info().log()