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Diffstat (limited to 'active_correction/scatter/2016.05.02 16-33-15 current delay space/src/H0.py')
| -rw-r--r-- | active_correction/scatter/2016.05.02 16-33-15 current delay space/src/H0.py | 171 |
1 files changed, 171 insertions, 0 deletions
diff --git a/active_correction/scatter/2016.05.02 16-33-15 current delay space/src/H0.py b/active_correction/scatter/2016.05.02 16-33-15 current delay space/src/H0.py new file mode 100644 index 0000000..e040203 --- /dev/null +++ b/active_correction/scatter/2016.05.02 16-33-15 current delay space/src/H0.py @@ -0,0 +1,171 @@ +"""
+@author: Dan
+
+each instance of running this depends on a few initial conditions that have to
+be specified:
+ out_group
+ rho_0
+ wa_central
+ a_coupling
+ gamma
+ dipoles
+
+so create a class where all these can describe the specific instance
+"""
+
+from NISE.lib.misc import *
+
+def gen_w_0(wa_central, a_coupling):
+ # convert nice system parameters into system vector indeces
+ w_ag = wa_central
+ w_2aa = w_ag - a_coupling
+ w_2ag = 2*w_ag - a_coupling
+ w_gg = 0.
+ w_aa = w_gg
+ return np.array( [w_gg, w_ag, -w_ag, w_aa, w_2ag, w_ag, w_2aa] )
+
+def gen_Gamma_0(tau_ag, tau_aa, tau_2ag, tau_2aa):
+ # same as gen_w_0, but for dephasing/relaxation times
+ tau = np.array( [np.inf, tau_ag, tau_ag,
+ tau_aa, tau_2ag,
+ tau_ag, tau_2aa ] )
+ Gamma = 1/tau
+ return Gamma
+
+class Omega:
+ # record the propagator module used to evolve this hamiltonian
+ propagator = 'rk'
+ # phase cycling is not valuable in this hamiltonian
+ pc = False
+ # all attributes should have good initial guesses for parameters
+ dm_vector = ['gg1','ag','ga','aa','2ag','ag2','2aa']
+ #out_group = [[6,7]]#,[7]]
+ out_group = [[5],[6]] # use this to separate alpha/gamma from beta for now
+ #--------------------------Oscillator Properties--------------------------
+ rho_0 = np.zeros((len(dm_vector)), dtype=np.complex64)
+ rho_0[0] = 1.
+ # 1S exciton central position
+ wa_central = 7000.
+ # exciton-exciton coupling
+ a_coupling = 0. # cm-1
+ # dephasing times, fs
+ tau_ag = 50.
+ tau_aa = np.inf #1./2000.
+ tau_2aa = tau_ag
+ tau_2ag = tau_ag
+ # transition dipoles (a.u.)
+ mu_ag = 1.0
+ mu_2aa = 1.0 * mu_ag # HO approx (1.414) vs. uncorr. electron approx. (1.)
+ # TOs sets which time-ordered pathways to include (1-6 for TrEE)
+ # defaults to include all time-orderings included
+ TOs = range(7)[1:]
+ #--------------------------Recorded attributes--------------------------
+ out_vars = ['dm_vector', 'out_group', 'rho_0', 'mu_ag', 'mu_2aa',
+ 'tau_ag', 'tau_aa', 'tau_2aa', 'tau_2ag',
+ 'wa_central', 'a_coupling', 'pc', 'propagator',
+ 'TOs']
+ #--------------------------Methods--------------------------
+ def __init__(self, **kwargs):
+ # inherit all class attributes unless kwargs has them; then use those
+ # values. if kwargs is not an Omega attribute, it gets ignored
+ # careful: don't redefine instance methods as class methods!
+ for key, value in kwargs.items():
+ if key in Omega.__dict__.keys():
+ setattr(self, key, value)
+ else:
+ print 'did not recognize attribute {0}. No assignment made'.format(key)
+ # with this set, initialize parameter vectors
+ self.w_0 = gen_w_0(self.wa_central, self.a_coupling)
+ self.Gamma = gen_Gamma_0(self.tau_ag, self.tau_aa, self.tau_2ag,
+ self.tau_2aa)
+
+ def o(self, efields, t, wl):
+ # combine the two pulse permutations to produce one output array
+ E1, E2, E3 = efields[0:3]
+
+ out1 = self._gen_matrix(E1, E2, E3, t, wl, w1first = True)
+ out2 = self._gen_matrix(E1, E2, E3, t, wl, w1first = False)
+
+ return np.array([out1, out2], dtype=np.complex64)
+
+ def _gen_matrix(self, E1, E2, E3, t, wl, w1first = True):
+ """
+ creates the coupling array given the input e-fields values for a specific time, t
+ w1first selects whether w1 or w2p is the first interacting positive field
+
+ Currently neglecting pathways where w2 and w3 require different frequencies
+ (all TRIVE space, or DOVE on diagonal)
+
+ Matrix formulated such that dephasing/relaxation is accounted for
+ outside of the matrix
+ """
+ wag = wl[1]
+ w2aa = wl[6]
+
+ mu_ag = self.mu_ag
+ mu_2aa = self.mu_2aa
+
+ if w1first==True:
+ first = E1
+ second = E3
+ else:
+ first = E3
+ second = E1
+
+ O = np.zeros((len(t), len(wl), len(wl)), dtype=np.complex64)
+ # from gg1
+ O[:,1,0] = mu_ag * first * rotor(-wag*t)
+ if w1first and 3 in self.TOs:
+ O[:,2,0] = -mu_ag * E2 * rotor(wag*t)
+ if not w1first and 5 in self.TOs:
+ O[:,2,0] = -mu_ag * E2 * rotor(wag*t)
+ # from ag1
+ # to DQC
+ if w1first and 2 in self.TOs:
+ O[:,4,1] = mu_2aa * second * rotor(-w2aa*t)
+ if not w1first and 4 in self.TOs:
+ O[:,4,1] = mu_2aa * second * rotor(-w2aa*t)
+ # to pop
+ if w1first and 1 in self.TOs:
+ O[:,3,1] = -mu_ag * E2 * rotor(wag*t)
+ if not w1first and 6 in self.TOs:
+ O[:,3,1] = -mu_ag * E2 * rotor(wag*t)
+ # from ga
+ O[:,3,2] = mu_ag * first * rotor(-wag*t)
+ # from gg-aa
+ O[:,5,3] = -mu_ag * second * rotor(-wag*t) * mu_ag
+ # because of alpha and gamma pathways, count twice
+ O[:,5,3] -= mu_ag * second * rotor(-wag*t) * mu_ag
+ O[:,6,3] = mu_2aa * second * rotor(-w2aa*t) * mu_2aa
+ # from 2ag
+ O[:,6,4] = mu_ag * E2 * rotor(wag*t) * mu_2aa
+ O[:,5,4] = -mu_2aa * E2 * rotor(w2aa*t) * mu_ag
+
+ # make complex according to Liouville Equation
+ O *= complex(0,0.5)
+
+ # include coherence decay rates:
+ for i in range(O.shape[-1]):
+ O[:,i,i] = -self.Gamma[i]
+
+ return O
+
+ def ws(self, inhom_object):
+ """
+ creates the correspondence of oscillator energies to the state vector
+ contains instructions for how energies change as subsets are changed
+ """
+ z = inhom_object.zeta
+
+ wg = 0.0 + 0*z
+ wa = z + self.wa_central
+ w2a = 2*wa - self.a_coupling
+
+ w_ag = wa - wg
+ w_aa = wa - wa
+ w_gg = wg - wg
+ w_2ag = w2a - wg
+ w_2aa = w2a - wa
+ #array aggregates all frequencies to match state vectors
+ w = np.array( [w_gg, w_ag, -w_ag, w_aa, w_2ag, w_ag, w_2aa] )
+ return w
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