Difference between revisions of "Hartree2joule.m"
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Revision as of 18:49, 5 June 2026
Converts Hartree energy units into J/mol. A Hartree is twice the ground state ionisation energy of the hydrogen atom.
Syntax
energy=hartree2joule(energy)
Parameters
energy - a numerical array of energies in
Hartree units
Outputs
energy - a numerical array of energies in
Joules
See also
castep2nqi.m, cgsppm2ang.m, eeqq2nqi.m, gauss2mhz.m, icm2hz.m, zfs2mat.m
Version 2.3, authors: Ilya Kuprov, Elizaveta Suturina
