Quantum Mechanics

For this example, we will calculate the Boltzmann Distribution for a diatomic Nitrogen molecule. Lets open a Python instance and type the following.

import haot
import numpy as np

# Ranges where distribution is calculated
vibrational_number = 1
rotational_number = 30
temperature_K = [100.0, 500.0, 1000.0]

# Empty 3D array [temperature, vibrational, rotational]
distribution = np.zeros([np.size(temperature_K),
                         vibrational_number + 1,
                         rotational_number + 1])

# Loop through all the temperatures
for t, val in enumerate(temperature_K):
    distribution[t] = quantum_mechanics.boltzmann_distribution(
                                            val, 'N2',
                                            vibrational_number,
                                            rotational_number, False)

Please refer to the source code for more more details of the function. You can access this information by exploring the Quantum Mechanics module documentation or using the hel() function within your interactive Python environment.