Units: Energy

This module contains conversions for units of energy.

tad_mctc.units.energy.AU2COULOMB = 1.6021766208e-19

Factor for conversion from atomic units to Coulomb. This equals the elementary charge.

tad_mctc.units.energy.AU2EV = 27.211386019495706

Factor for conversion from atomic units to eletronvolt.

tad_mctc.units.energy.AU2JOULE = 4.35974465e-18

Factor for conversion from atomic units to Joule (J = kg·m²·s⁻²).

tad_mctc.units.energy.AU2KCAL = 1.0420039794455067e-21

Factor for conversion from atomic units to kilo Calorie.

tad_mctc.units.energy.AU2KCALMOL = 627.5094737775374

Factor for conversion from atomic units to kilo Calorie per mole.

tad_mctc.units.energy.AU2KELVIN = 315775.13

Factor for conversion from Kelvin to atomic units.

tad_mctc.units.energy.AU2VAA = 51.422067070958946

Factor for conversion from atomic units to V/Å = J/(C·Å).

tad_mctc.units.energy.AU2VOLT = 27.21138601949571

Factor for conversion from atomic units to V = J/C.

tad_mctc.units.energy.CAL2JOULE = 4.184

Factor for conversion from Calorie to Joule. This equals: 1 calorie = 4.184 joules.

tad_mctc.units.energy.COULOMB2AU = 6.241509125883258e+18

Factor for conversion from Coulomb to atomic units.

tad_mctc.units.energy.EV2AU = 0.03674932248153571

Factor for conversion from eletronvolt to atomic units. (electron volt-hartree relationship)

tad_mctc.units.energy.EV2JOULE = 1.6021766208e-19

Factor for conversion from electron volts to Joule. This equals the elementary charge.

tad_mctc.units.energy.JOULE2AU = 2.2937123163853187e+17

Factor for conversion from Joule (J = kg·m²·s⁻²) to atomic units. This equals: 1 Joule = 2.294e+17 Hartree. Could also be calculated as: CODATA.me * CODATA.c**2 * CODATA.alpha**2

tad_mctc.units.energy.JOULE2CAL = 0.2390057361376673

Factor for conversion from Joule to Calorie.

tad_mctc.units.energy.JOULE2EV = 6.241509125883258e+18

Factor for conversion from Joule to electron volts.

tad_mctc.units.energy.JOULE2KCAL = 0.0002390057361376673

Factor for conversion from Joule to kilo Calorie.

tad_mctc.units.energy.JOULE2KELVIN = 7.242973034150648e+22

Factor for conversion from Joule to Kelvin.

tad_mctc.units.energy.KCAL2AU = 9.596892331756173e+20

Factor for conversion from kilo Calorie to atomic units.

tad_mctc.units.energy.KCAL2JOULE = 4184.0

Factor for conversion from kilo Calorie to Joule.

tad_mctc.units.energy.KCALMOL2AU = 0.0015936014383657205

Factor for conversion from kilo Calorie per mole to atomic units.

tad_mctc.units.energy.KELVIN2AU = 3.1668105e-06

Factor for conversion from Kelvin to atomic units.

tad_mctc.units.energy.KELVIN2JOULE = 1.38064852e-23

Factor for conversion from Kelvin to Joule. This equals the Boltzmann constant.

tad_mctc.units.energy.VAA2AU = 0.019446903964791384

Factor for conversion from V/Å = J/(C·Å) to atomic units.

tad_mctc.units.energy.VOLT2AU = 0.0367493224815357

Factor for conversion from V = J/C to atomic units.