Physical nature of the chemical bond. III. A quasi-optimized l.c.G.t.o.-m.o.-s.c.f. wavefunction for the neon hydride ion

Abstract

Quasi-optimized wavefunctions for the neon hydride positive ion (NeH+) have been obtained for various sizes of basis sets of Gaussian orbitals. The effect of varying the size of basis set and the exponents has been examined.