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Huckel Molecular Orbital Theory 1 Eigenvalues

Most problems in chemistry [all, according to Dirac (1929)] could be solved if we had a general method of obtaining exact solutions of the Schroedinger equation [Pg.169]

The reason a single equation = ( can describe all real or hypothetical mechanical systems is that the Hamiltonian operator H takes a different form for each new system. There is a limitation that accompanies the generality of the Hamiltonian and the Schroedinger equation We cannot find the exact location of any election, even in simple systems like the hydrogen atom. We must be satisfied with a probability distribution for the electron s whereabouts, governed by a function (1/ called the wave function. [Pg.169]

We cannot solve the Schroedinger equation in closed fomi for most systems. We have exact solutions for the energy E and the wave function (1/ for only a few of the simplest systems. In the general case, we must accept approximate solutions. The picture is not bleak, however, because approximate solutions are getting systematically better under the impact of contemporary advances in computer hardware and software. We may anticipate an exciting future in this fast-paced field. [Pg.169]

Computational Chemistry Using the PC, Third Edition, by Donald W. Rogers ISBN 0-471-42800-0 Copyright 2003 John Wiley Sons, Inc. [Pg.169]


HUCKEL MOLECULAR ORBITAL THEORY I EIGENVALUES by the matrix... [Pg.189]


See other pages where Huckel Molecular Orbital Theory 1 Eigenvalues is mentioned: [Pg.169]    [Pg.169]    [Pg.171]    [Pg.173]    [Pg.175]    [Pg.179]    [Pg.181]    [Pg.183]    [Pg.185]    [Pg.191]    [Pg.193]    [Pg.195]    [Pg.197]    [Pg.214]    [Pg.180]    [Pg.149]    [Pg.3047]    [Pg.32]    [Pg.131]    [Pg.192]   


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