oqp.utils.constants

Physical constants

Attributes

ANGSTROM_TO_BOHR
SPEED_OF_LIGHT
ATMOS
BOHR
FREQ_TO_INV_CM
AMU_to_KG
J_TO_AU
J_TO_INV_CM
GAS_CONSTANT
PLANCK_CONSTANT
BOLTZMANN_CONSTANT
AVOGADRO_CONSTANT

Module Contents

ANGSTROM_TO_BOHR = 0.529177210903

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

SPEED_OF_LIGHT = 29979245800.0

ATMOS = 101.325

BOHR = 5.29177210903e-11

FREQ_TO_INV_CM = 5140.489195376594

AMU_to_KG = 1.66053886e-27

J_TO_AU = 3.8087984408458145e-07

J_TO_INV_CM = 5.03412e+22

GAS_CONSTANT = 8.3144621

PLANCK_CONSTANT = 6.62606957e-34

BOLTZMANN_CONSTANT = 1.3806488e-23

AVOGADRO_CONSTANT = 6.0221415e+23