Difference between revisions of "Hartree2joule.m"
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energy=hartree2joule(energy) | energy=hartree2joule(energy) | ||
| − | == | + | ==Parameters== |
energy - a numerical array of energies in | energy - a numerical array of energies in | ||
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==See also== | ==See also== | ||
| − | [[castep2nqi.m]], [[cgsppm2ang.m]], [[eeqq2nqi.m]], [[gauss2mhz.m]], [[icm2hz.m]], [[zfs2mat.m]] | + | [[castep2nqi.m]], [[cgsppm2ang.m]], [[eeqq2nqi.m]], [[gauss2mhz.m]], [[icm2hz.m]], [[zfs2mat.m]], [[anas2mat.m]], [[ang2cgsppm.m]], [[axrh2mat.m]], [[conmat.m]], [[dictum.m]], [[dihedral.m]], [[frac2cart.m]], [[g2freq.m]], [[ham2nqi.m]], [[hz2icm.m]], [[hz2ppm.m]], [[ias2mat.m]], [[mat2axrh.m]], [[mat2ias.m]], [[mhz2gauss.m]], [[mt2hz.m]], [[offsetof.m]], [[ppm2hz.m]], [[spsk2mat.m]], [[tsm2param.m]], [[xyz2dd.m]], [[Kernel_utilities]] |
''Version 2.3, authors: [[Ilya Kuprov]], [[Elizaveta Suturina]]'' | ''Version 2.3, authors: [[Ilya Kuprov]], [[Elizaveta Suturina]]'' | ||
Latest revision as of 19:37, 6 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, anas2mat.m, ang2cgsppm.m, axrh2mat.m, conmat.m, dictum.m, dihedral.m, frac2cart.m, g2freq.m, ham2nqi.m, hz2icm.m, hz2ppm.m, ias2mat.m, mat2axrh.m, mat2ias.m, mhz2gauss.m, mt2hz.m, offsetof.m, ppm2hz.m, spsk2mat.m, tsm2param.m, xyz2dd.m, Kernel_utilities
Version 2.3, authors: Ilya Kuprov, Elizaveta Suturina
