qml.qchem.taylor_bosonic

taylor_bosonic(coeffs, freqs, is_local=True, uloc=None)

Return Taylor bosonic vibrational Hamiltonian.

The construction of the Hamiltonian is based on Eqs. 4-7 of arXiv:1703.09313.

Parameters

• coeffs (list(float)) – the coefficients of the Hamiltonian

• freqs (list(float)) – the harmonic frequencies in atomic units

• is_local (bool) – Flag whether the vibrational modes are localized. Default is True.

• uloc (list(list(float))) – localization matrix indicating the relationship between original and localized modes

Returns

Taylor bosonic hamiltonian

Return type

pennylane.bose.BoseSentence

Example

>>> one_mode = np.array([[-0.00088528, -0.00361425,  0.00068143]])
>>> two_mode = np.array([[[0., 0., 0., 0., 0., 0.]]])
>>> freqs = np.array([0.025])
>>> uloc = np.array([[1.0]])
>>> ham = qml.qchem.taylor_bosonic(coeffs=[one_mode, two_mode], freqs=freqs, uloc=uloc)
>>> print(ham)
-0.0012778303419517393 * b⁺(0) b⁺(0) b⁺(0)
+ -0.0038334910258552178 * b⁺(0) b⁺(0) b(0)
+ -0.0038334910258552178 * b⁺(0)
+ -0.0038334910258552178 * b⁺(0) b(0) b(0)
+ -0.0038334910258552178 * b(0)
+ -0.0012778303419517393 * b(0) b(0) b(0)
+ (0.0005795050000000001+0j) * b⁺(0) b⁺(0)
+ (0.026159009999999996+0j) * b⁺(0) b(0)
+ (0.012568432499999997+0j) * I
+ (0.0005795050000000001+0j) * b(0) b(0)
+ 0.00017035749999999995 * b⁺(0) b⁺(0) b⁺(0) b⁺(0)
+ 0.0006814299999999998 * b⁺(0) b⁺(0) b⁺(0) b(0)
+ 0.0010221449999999997 * b⁺(0) b⁺(0) b(0) b(0)
+ 0.0006814299999999998 * b⁺(0) b(0) b(0) b(0)
+ 0.00017035749999999995 * b(0) b(0) b(0) b(0)

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