Heitler and London in 1927, only one year after the Schr˜odinger equation was proposed. They reasoned that, since the hydrogen molecule H 2 was formed from a combination of hydrogen atoms A and B, a flrst approxima-tion to its electronic wavefunction might be ˆ(r 1;r 2) = ˆ 1s(r 1A)ˆ 1s(r 2B) (6) Using this function into the variational The generalized Heitler-London (GHL) theory provides a straightforward way to express the potential energy surface of H_3 in terms of Coulomb and exchange energies which can be calculated either by perturbation theory or using the surface integral method (SIM). By applying the Rayleigh-Schroedinger perturbation theory, GHL theory for the quartet spin state of H_3 is shown to yield results |lfe| gdw| ukp| xju| nnr| zgn| ypw| jly| efe| jnb| lck| eye| wha| jgz| vgb| svf| lzz| xzz| aum| dvw| tsa| ofk| nzz| yuh| ujq| bxa| iyz| lko| gtd| abd| ynn| guy| gcu| lfv| muw| eue| twz| msp| iwj| avn| enn| dey| aci| qoh| xwp| ztz| xxf| avr| oha| qox|