Short lecture on one-electron integrals of spin orbital expectation values.
Terms in the total energy of a molecular system are either of the one-electron or two-electron form, depending on the number of electrons in the operator. One-electron terms include electron kinetic energy and electron-nuclear attraction. One-electron terms can be factored to only depend on the coordinates of one-electron at a time, and are thus "separable". Two-electron terms (electron-electron repulsion) are not separable, and thus the primary source of difficulty in obtaining molecular energy expressions. This video performs a derivation to show how the one-electron energy of a molecular energy depends only on the core Hamiltonian operator applied to each occupied spin orbital, multiplied by its complex conjugate, and integrated over all space (i.e. one-electron integrals).
Notes Slide: https://i.imgur.com/Pt7sfcy.png
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Watch video Computational Chemistry 4.11 - One-Electron Integrals online without registration, duration hours minute second in high quality. This video was added by user TMP Chem 24 March 2018, don't forget to share it with your friends and acquaintances, it has been viewed on our site 15,348 once and liked it 164 people.