Ab initio calculation of the electric polarizability of infinite chains by the Genkin-Mednis approach. Preliminary investigation on model chains of hydrogen molecules

Proton polarizability of hydrogen-bonded

Proton polarizability of hydrogen-bonded chains: An ab initio SCF calculation with a model related to the conducting system in bacteriorhodopsin

✍ Johannes Fritsch; Georg Zundel; A. Hayd; M. Maurer 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 397 KB

The energy and dipole-moment surfaces of the proton motion in the hydrogen-bonded formic-acid -water-formats systern are calculated using an ab initio treatment. Such a system shows a very Ia+ proton pokuizability. The charge motion proceeds step-by-step. ## Consequences regarding the charge con