"""Operators and states for 1D cartesian position and momentum. TODO: * Add 3D classes to mappings in operatorset.py """ from sympy.core.numbers import (I, pi) from sympy.core.singleton import S from sympy.functions.elementary.exponential import exp from sympy.functions.elementary.miscellaneous import sqrt from sympy.functions.special.delta_functions import DiracDelta from sympy.sets.sets import Interval from sympy.physics.quantum.constants import hbar from sympy.physics.quantum.hilbert import L2 from sympy.physics.quantum.operator import DifferentialOperator, HermitianOperator from sympy.physics.quantum.state import Ket, Bra, State __all__ = [ 'XOp', 'YOp', 'ZOp', 'PxOp', 'X', 'Y', 'Z', 'Px', 'XKet', 'XBra', 'PxKet', 'PxBra', 'PositionState3D', 'PositionKet3D', 'PositionBra3D' ] #------------------------------------------------------------------------- # Position operators #------------------------------------------------------------------------- class XOp(HermitianOperator): """1D cartesian position operator.""" @classmethod def default_args(self): return ("X",) @classmethod def _eval_hilbert_space(self, args): return L2(Interval(S.NegativeInfinity, S.Infinity)) def _eval_commutator_PxOp(self, other): return I*hbar def _apply_operator_XKet(self, ket): return ket.position*ket def _apply_operator_PositionKet3D(self, ket): return ket.position_x*ket def _represent_PxKet(self, basis, *, index=1, **options): states = basis._enumerate_state(2, start_index=index) coord1 = states[0].momentum coord2 = states[1].momentum d = DifferentialOperator(coord1) delta = DiracDelta(coord1 - coord2) return I*hbar*(d*delta) class YOp(HermitianOperator): """ Y cartesian coordinate operator (for 2D or 3D systems) """ @classmethod def default_args(self): return ("Y",) @classmethod def _eval_hilbert_space(self, args): return L2(Interval(S.NegativeInfinity, S.Infinity)) def _apply_operator_PositionKet3D(self, ket): return ket.position_y*ket class ZOp(HermitianOperator): """ Z cartesian coordinate operator (for 3D systems) """ @classmethod def default_args(self): return ("Z",) @classmethod def _eval_hilbert_space(self, args): return L2(Interval(S.NegativeInfinity, S.Infinity)) def _apply_operator_PositionKet3D(self, ket): return ket.position_z*ket #------------------------------------------------------------------------- # Momentum operators #------------------------------------------------------------------------- class PxOp(HermitianOperator): """1D cartesian momentum operator.""" @classmethod def default_args(self): return ("Px",) @classmethod def _eval_hilbert_space(self, args): return L2(Interval(S.NegativeInfinity, S.Infinity)) def _apply_operator_PxKet(self, ket): return ket.momentum*ket def _represent_XKet(self, basis, *, index=1, **options): states = basis._enumerate_state(2, start_index=index) coord1 = states[0].position coord2 = states[1].position d = DifferentialOperator(coord1) delta = DiracDelta(coord1 - coord2) return -I*hbar*(d*delta) X = XOp('X') Y = YOp('Y') Z = ZOp('Z') Px = PxOp('Px') #------------------------------------------------------------------------- # Position eigenstates #------------------------------------------------------------------------- class XKet(Ket): """1D cartesian position eigenket.""" @classmethod def _operators_to_state(self, op, **options): return self.__new__(self, *_lowercase_labels(op), **options) def _state_to_operators(self, op_class, **options): return op_class.__new__(op_class, *_uppercase_labels(self), **options) @classmethod def default_args(self): return ("x",) @classmethod def dual_class(self): return XBra @property def position(self): """The position of the state.""" return self.label[0] def _enumerate_state(self, num_states, **options): return _enumerate_continuous_1D(self, num_states, **options) def _eval_innerproduct_XBra(self, bra, **hints): return DiracDelta(self.position - bra.position) def _eval_innerproduct_PxBra(self, bra, **hints): return exp(-I*self.position*bra.momentum/hbar)/sqrt(2*pi*hbar) class XBra(Bra): """1D cartesian position eigenbra.""" @classmethod def default_args(self): return ("x",) @classmethod def dual_class(self): return XKet @property def position(self): """The position of the state.""" return self.label[0] class PositionState3D(State): """ Base class for 3D cartesian position eigenstates """ @classmethod def _operators_to_state(self, op, **options): return self.__new__(self, *_lowercase_labels(op), **options) def _state_to_operators(self, op_class, **options): return op_class.__new__(op_class, *_uppercase_labels(self), **options) @classmethod def default_args(self): return ("x", "y", "z") @property def position_x(self): """ The x coordinate of the state """ return self.label[0] @property def position_y(self): """ The y coordinate of the state """ return self.label[1] @property def position_z(self): """ The z coordinate of the state """ return self.label[2] class PositionKet3D(Ket, PositionState3D): """ 3D cartesian position eigenket """ def _eval_innerproduct_PositionBra3D(self, bra, **options): x_diff = self.position_x - bra.position_x y_diff = self.position_y - bra.position_y z_diff = self.position_z - bra.position_z return DiracDelta(x_diff)*DiracDelta(y_diff)*DiracDelta(z_diff) @classmethod def dual_class(self): return PositionBra3D # XXX: The type:ignore here is because mypy gives Definition of # "_state_to_operators" in base class "PositionState3D" is incompatible with # definition in base class "BraBase" class PositionBra3D(Bra, PositionState3D): # type: ignore """ 3D cartesian position eigenbra """ @classmethod def dual_class(self): return PositionKet3D #------------------------------------------------------------------------- # Momentum eigenstates #------------------------------------------------------------------------- class PxKet(Ket): """1D cartesian momentum eigenket.""" @classmethod def _operators_to_state(self, op, **options): return self.__new__(self, *_lowercase_labels(op), **options) def _state_to_operators(self, op_class, **options): return op_class.__new__(op_class, *_uppercase_labels(self), **options) @classmethod def default_args(self): return ("px",) @classmethod def dual_class(self): return PxBra @property def momentum(self): """The momentum of the state.""" return self.label[0] def _enumerate_state(self, *args, **options): return _enumerate_continuous_1D(self, *args, **options) def _eval_innerproduct_XBra(self, bra, **hints): return exp(I*self.momentum*bra.position/hbar)/sqrt(2*pi*hbar) def _eval_innerproduct_PxBra(self, bra, **hints): return DiracDelta(self.momentum - bra.momentum) class PxBra(Bra): """1D cartesian momentum eigenbra.""" @classmethod def default_args(self): return ("px",) @classmethod def dual_class(self): return PxKet @property def momentum(self): """The momentum of the state.""" return self.label[0] #------------------------------------------------------------------------- # Global helper functions #------------------------------------------------------------------------- def _enumerate_continuous_1D(*args, **options): state = args[0] num_states = args[1] state_class = state.__class__ index_list = options.pop('index_list', []) if len(index_list) == 0: start_index = options.pop('start_index', 1) index_list = list(range(start_index, start_index + num_states)) enum_states = [0 for i in range(len(index_list))] for i, ind in enumerate(index_list): label = state.args[0] enum_states[i] = state_class(str(label) + "_" + str(ind), **options) return enum_states def _lowercase_labels(ops): if not isinstance(ops, set): ops = [ops] return [str(arg.label[0]).lower() for arg in ops] def _uppercase_labels(ops): if not isinstance(ops, set): ops = [ops] new_args = [str(arg.label[0])[0].upper() + str(arg.label[0])[1:] for arg in ops] return new_args