Approximate non-paired spatial orbital approach to a regular one-dimensional lattice structure

Abstract

The method of non-paired spatial orbitals is applied for the first time to an infinite structure, the one dimensional chain of hydrogen atoms. Results are compared with previous molecular orbital and alternant molecular orbital studies. Several approximations have to be introduced to make the method tractable and the results for the energy are rather poor. The method gives a reasonable description of the structure, particularly at large inter-atomic separations.