Mengkonversi Satuan Energi…

Sering kita kesulitan untuk mengubah besarnya energi dari
satu satuan kesatuan lain.
ini saya coba berikan tabelnya semoga bermanfaat.

1 hartree       =  2625.5  kJ mol^-1
=  627.51 Kcalmol^-1
= 27.212 eV
= 2.1947 x 10⁵ cm^-1
1 kJ mol^-1 = 3.8088 x10^-4 hatree
= 0.23901 Kcalmol^-1
= 1.0364 x 10^-2 eV
= 83.593 cm^-1
1 Kcal mol^-1 = 1.5936 x10^-3 hatree
=  4.1840 kJ mol^-1
= 4.3363 x 10^-2 eV
= 349.75 cm^-1
1 eV            = 3.6749 x10^-2 hatree
=  96.485 kJ mol^-1
= 23.061 Kcalmol^-1
= 8065.5 cm^-1
1 cm^-1 =  4.5563×10^-6 hatree
= 1.1963 x10^-2 kJ mol^-1
= 2.8591 x 10^-3 Kcalmol^-1
= 1.2398 eV

atomic unit

1 hartree = 1 a.u.
= 4.359810e-18 J

1 bohr = 1 a.u. = 0.529177 Angstrom
1 rydberg = (1/2) a.u.

1 electron volt = (1/27.212) a.u.
1 kT = 3.2e-6 a.u. @ 300 K
1 fs = 41.341105 a.u.
( 1 time a.u. = 0.024189 fs)
1 electron mass = 1 a.u.
= 9.1096e-31 kg
1 proton mass = 1.6726e-27 kg
= 1822.89 a.u.
1 electron charge = 1 a.u.
= 1.6022e-19 C
1 velocity a.u. = c/137
= 2.1579e+06 m/s
1 force a.u. = 51.4 eV/Angstrom
= 8.23885e-8 N