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Nodal Surfaces in Molecular Wave Functions

Karl F. Herzfeld
Rev. Mod. Phys. 21, 527 – Published 1 July 1949
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Abstract

One electron molecular orbitals for mobile electrons, subject to the potential energy of a molecular skeleton, are considered. If the atoms are far apart, the orbitals can be built up exactly from 2p atomic wave functions. The molecule in natural size is formed by adiabatic approach. It is shown that all the nodal surfaces reach into infinity, if the atoms are all alike, but that closed nodal surfaces may exist, if they are not. It is proved that the number of electrons inclosed in nodal surfaces is invariant against adiabatic change. Nodal surfaces for antisymmetrized molecular orbitals are then discussed.

    DOI:https://doi.org/10.1103/RevModPhys.21.527

    ©1949 American Physical Society

    Authors & Affiliations

    Karl F. Herzfeld

    • Department of Physics, Catholic University of America, Washington, D. C.

    References

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    Issue

    Vol. 21, Iss. 3 — July - September 1949

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