Coupling Functions Module

Coupling Calculations Module

This module contains functions for coupling calculations in vibrational coupling Hamiltonians.

Functions

Variables

  • coupling_funct: Dictionary of coupling functions.

  • n_var: Dictionary of the number of variables for each function.

  • initial_guesses: Dictionary of initial guesses for each potential type.

couplingfunct.linear_coupling(q, k1)[source]

Compute the linear coupling function.

qtf.Tensor

Tensor of displacements with dtype tf.float32.

k1tf.Tensor or float

Tensor representing the coupling constant with dtype tf.float32.

tf.Tensor

Tensor of linear coupling values with dtype tf.float32.

>>> q = tf.constant([1.0, 2.0, 3.0], dtype=tf.float32)
>>> k1 = tf.constant(0.5, dtype=tf.float32)
>>> linear_coupling(q, k1)
<tf.Tensor: shape=(3,), dtype=float32, numpy=array([0.5, 1.0, 1.5], dtype=float32)>
Parameters:
  • q (Tensor) –

  • k1 (Tensor) –

Return type:

Tensor