The protonic structure of methane, ammonia, water, and hydrogen fluoride

✍ Scribed by I.L. Thomas

• Publisher: Elsevier Science
• Year: 1969
• Tongue: English
• Weight: 190 KB
• Volume: 3
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(69)87015-6

✦ Synopsis

Schradinger's time independent equation was solved approximately using ihe variational theorem for methane, ammonia, water, and hydrogen fluoride with the kinetic energy operators of the protons included in the Hamiltonian and the electrons and protons described by Slater orbitals.

One minimal basis confimration was used for the electrons and twelve, twenty, six, and one configurations were used for methane, ammonia, water, and hydrogen fluoride respectively.

The kinetic energies of the protons were found to be about three per cent of the bond energies.

The calculations yielded protonic spectra similar to the electronic spectra.