oqp.utils.constants =================== .. py:module:: oqp.utils.constants .. autoapi-nested-parse:: .. code-block:: text Physical constants Attributes ---------- .. autoapisummary:: oqp.utils.constants.ANGSTROM_TO_BOHR oqp.utils.constants.SPEED_OF_LIGHT oqp.utils.constants.ATMOS oqp.utils.constants.BOHR oqp.utils.constants.FREQ_TO_INV_CM oqp.utils.constants.AMU_to_KG oqp.utils.constants.J_TO_AU oqp.utils.constants.J_TO_INV_CM oqp.utils.constants.GAS_CONSTANT oqp.utils.constants.PLANCK_CONSTANT oqp.utils.constants.BOLTZMANN_CONSTANT oqp.utils.constants.AVOGADRO_CONSTANT Module Contents --------------- .. py:data:: ANGSTROM_TO_BOHR :value: 0.529177210903 .. code-block:: text 1 Hartree = 4.3597482e-18 Nm 1 Bohr = 5.2917721067121e-11 m 1 Hartree/Bohr ** 2 = 1556.8943461281847 N/m 1 N/m = 1 kg/s ** 2 1 Hartree/Bohr ** 2 = 1556.8943461281847 kg/s ** 2 1 g/mol = 1.6605390671738466e-27 kg 1 Hartree/Bohr ** 2/(g/mol) = 9.37583690083209e+29 1/s ** 2 1 [Hartree/Bohr ** 2/(g/mol)]/2π = 154107989120439.12 1/s 1 c = 29979245800 cm / s 1 [Hartree/Bohr ** 2/(g/mol)]/2πc = 5140.489195376594 cm -1 .. py:data:: SPEED_OF_LIGHT :value: 29979245800.0 .. py:data:: ATMOS :value: 101.325 .. py:data:: BOHR :value: 5.29177210903e-11 .. py:data:: FREQ_TO_INV_CM :value: 5140.489195376594 .. py:data:: AMU_to_KG :value: 1.66053886e-27 .. py:data:: J_TO_AU :value: 3.8087984408458145e-07 .. py:data:: J_TO_INV_CM :value: 5.03412e+22 .. py:data:: GAS_CONSTANT :value: 8.3144621 .. py:data:: PLANCK_CONSTANT :value: 6.62606957e-34 .. py:data:: BOLTZMANN_CONSTANT :value: 1.3806488e-23 .. py:data:: AVOGADRO_CONSTANT :value: 6.0221415e+23